AI60371
90090-64-5 | 2-(Thiophen-2-yl)pyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AI60371
ChemicalName
2-(Thiophen-2-yl)pyrrolidine
CasNumber
90090-64-5
MolecularFormula
C8H11NS
MolecularWeight
153.2446
MdlNumber
MFCD00052889
Smiles
C1CNC(C1)c1cccs1
Complexity
116
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.5
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CatalogNumber: AI60371
ChemicalName: 2-(Thiophen-2-yl)pyrrolidine
CasNumber: 90090-64-5
MolecularFormula: C8H11NS
MolecularWeight: 153.2446
MdlNumber: MFCD00052889
Smiles: C1CNC(C1)c1cccs1
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.5
CatalogNumber:
AI60371
ChemicalName:
2-(Thiophen-2-yl)pyrrolidine
CasNumber:
90090-64-5
MolecularFormula:
C8H11NS
MolecularWeight:
153.2446
MdlNumber:
MFCD00052889
Smiles:
C1CNC(C1)c1cccs1
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.5
CatalogNumber: AI60373
ChemicalName: (6-Methyl-pyridin-2-yl)-carbamic acid tert-butyl ester
CasNumber: 90101-22-7
MolecularFormula: C11H16N2O2
MolecularWeight: 208.2569
MdlNumber: MFCD07776935
Smiles: O=C(OC(C)(C)C)Nc1cccc(n1)C
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2.2
CatalogNumber:
AI60373
ChemicalName:
(6-Methyl-pyridin-2-yl)-carbamic acid tert-butyl ester
CasNumber:
90101-22-7
MolecularFormula:
C11H16N2O2
MolecularWeight:
208.2569
MdlNumber:
MFCD07776935
Smiles:
O=C(OC(C)(C)C)Nc1cccc(n1)C
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[C@@H]([C@@H]1NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)O)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[C@@H]([C@@H]1NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)O)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC(=O)c1ccc(cc1Cl)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC(=O)c1ccc(cc1Cl)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__