AI46026
259874-95-8 | (1-[(4-Methylbenzene)sulfonyl]piperidin-2-yl)methanol
Manufacturer: A2B Chem
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CatalogNumber
AI46026
ChemicalName
(1-[(4-Methylbenzene)sulfonyl]piperidin-2-yl)methanol
CasNumber
259874-95-8
MolecularFormula
C13H19NO3S
MolecularWeight
269.3599
MdlNumber
MFCD01185747
Smiles
OCC1CCCCN1S(=O)(=O)c1ccc(cc1)C
Complexity
355
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.7
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CatalogNumber: AI46026
ChemicalName: (1-[(4-Methylbenzene)sulfonyl]piperidin-2-yl)methanol
CasNumber: 259874-95-8
MolecularFormula: C13H19NO3S
MolecularWeight: 269.3599
MdlNumber: MFCD01185747
Smiles: OCC1CCCCN1S(=O)(=O)c1ccc(cc1)C
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AI46026
ChemicalName:
(1-[(4-Methylbenzene)sulfonyl]piperidin-2-yl)methanol
CasNumber:
259874-95-8
MolecularFormula:
C13H19NO3S
MolecularWeight:
269.3599
MdlNumber:
MFCD01185747
Smiles:
OCC1CCCCN1S(=O)(=O)c1ccc(cc1)C
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.7
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Smiles: CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C
Complexity: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: CCN(S(=O)(=O)c1cc(C)ccc1C)c1ccccc1
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
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UndefinedAtomStereocenterCount: __
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MolecularFormula:
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Smiles:
CCN(S(=O)(=O)c1cc(C)ccc1C)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: Clc1cccc(c1)Nc1ccnc(n1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cccc(c1)Nc1ccnc(n1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__