AD57139
227935-30-0 | 4-(Piperidine-1-sulfonyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD57139
ChemicalName
4-(Piperidine-1-sulfonyl)benzonitrile
CasNumber
227935-30-0
MolecularFormula
C12H14N2O2S
MolecularWeight
250.3168
MdlNumber
MFCD00512381
Smiles
N#Cc1ccc(cc1)S(=O)(=O)N1CCCCC1
Complexity
390
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AD57139
ChemicalName: 4-(Piperidine-1-sulfonyl)benzonitrile
CasNumber: 227935-30-0
MolecularFormula: C12H14N2O2S
MolecularWeight: 250.3168
MdlNumber: MFCD00512381
Smiles: N#Cc1ccc(cc1)S(=O)(=O)N1CCCCC1
Complexity: 390
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AD57139
ChemicalName:
4-(Piperidine-1-sulfonyl)benzonitrile
CasNumber:
227935-30-0
MolecularFormula:
C12H14N2O2S
MolecularWeight:
250.3168
MdlNumber:
MFCD00512381
Smiles:
N#Cc1ccc(cc1)S(=O)(=O)N1CCCCC1
Complexity:
390
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.6
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MolecularFormula: __
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Smiles: Nc1ccc2c(c1)COCO2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Nc1ccc2c(c1)COCO2
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C(N[C@@H](C(=O)O)Cc1c[nH]c2c1cccc2)OCc1ccccc1
Complexity: 464
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.3
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Smiles:
O=C(N[C@@H](C(=O)O)Cc1c[nH]c2c1cccc2)OCc1ccccc1
Complexity:
464
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
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Smiles: CCCCC1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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MolecularFormula:
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Smiles:
CCCCC1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__