1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide

C18H23N3O2S — CID 125441693

IUPAC1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N[C@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C18H23N3O2S/c22-24(23,15-16-6-2-1-3-7-16)20-18-9-5-11-21(14-18)13-17-8-4-10-19-12-17/h1-4,6-8,10,12,18,20H,5,9,11,13-15H2/t18-/m0/s1
InChIKeyXZGVTMDLEMNPMN-SFHVURJKSA-N
MW345.47 g/mol
LogP2.17
Rot. Bonds6

About 1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide

1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide (PubChem CID 125441693) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide
PubChem CID125441693
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N[C@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C18H23N3O2S/c22-24(23,15-16-6-2-1-3-7-16)20-18-9-5-11-21(14-18)13-17-8-4-10-19-12-17/h1-4,6-8,10,12,18,20H,5,9,11,13-15H2/t18-/m0/s1
InChIKeyXZGVTMDLEMNPMN-SFHVURJKSA-N
XLogP2.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid
CID 64590673
N-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56581910
N-(1,4-dithiepan-6-yl)-1-(pyridin-3-ylmethyl)piperidin-3-amine
CID 122555983
5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 122558298
6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 122564334
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide
CID 56918189
3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 92603225
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 125165036
2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124749391
3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125440680
N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine
CID 55256845
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 125441300

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide (CID 125441693) is 1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide is O=S(=O)(Cc1ccccc1)N[C@H]1CCCN(Cc2cccnc2)C1.
What is the InChIKey of 1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is XZGVTMDLEMNPMN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-24(23,15-16-6-2-1-3-7-16)20-18-9-5-11-21(14-18)13-17-8-4-10-19-12-17/h1-4,6-8,10,12,18,20H,5,9,11,13-15H2/t18-/m0/s1.
What are the key properties of 1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide?
1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 345.47 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 125441693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).