(3S)-1-(3-cyanophenyl)sulfonyl-N,N-dimethylpiperidine-3-carboxamide

C15H19N3O3S — CID 94801085

IUPAC(3S)-1-(3-cyanophenyl)sulfonyl-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(C#N)c2)C1
InChIInChI=1S/C15H19N3O3S/c1-17(2)15(19)13-6-4-8-18(11-13)22(20,21)14-7-3-5-12(9-14)10-16/h3,5,7,9,13H,4,6,8,11H2,1-2H3/t13-/m0/s1
InChIKeyYGGAJYWRVGSFPI-ZDUSSCGKSA-N
MW321.40 g/mol
LogP1.05
Rot. Bonds3

About (3S)-1-(3-cyanophenyl)sulfonyl-N,N-dimethylpiperidine-3-carboxamide

(3S)-1-(3-cyanophenyl)sulfonyl-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 94801085) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is (3S)-1-(3-cyanophenyl)sulfonyl-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-cyanophenyl)sulfonyl-N,N-dimethylpiperidine-3-carboxamide
PubChem CID94801085
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name(3S)-1-(3-cyanophenyl)sulfonyl-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(C#N)c2)C1
InChIInChI=1S/C15H19N3O3S/c1-17(2)15(19)13-6-4-8-18(11-13)22(20,21)14-7-3-5-12(9-14)10-16/h3,5,7,9,13H,4,6,8,11H2,1-2H3/t13-/m0/s1
InChIKeyYGGAJYWRVGSFPI-ZDUSSCGKSA-N
XLogP1.05
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-acetylpiperidin-1-yl)sulfonylbenzonitrile
CID 63845406
(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156240
3-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]sulfonylbenzonitrile
CID 94818098
3-(3-hydroxypyrrolidin-1-yl)sulfonylbenzonitrile
CID 55132313
3-(3-methylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 61227022
tert-butyl N-[(3R)-1-(3-cyanophenyl)sulfonylpiperidin-3-yl]carbamate
CID 170855227
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)benzonitrile
CID 112727897
1-[3-(dimethylamino)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 120605790
3-(3-propan-2-ylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 76775717
3-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile
CID 3726995
N-(3-cyanophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 51219116
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 119993572

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-cyanophenyl)sulfonyl-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-cyanophenyl)sulfonyl-N,N-dimethylpiperidine-3-carboxamide (CID 94801085) is (3S)-1-(3-cyanophenyl)sulfonyl-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-cyanophenyl)sulfonyl-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-cyanophenyl)sulfonyl-N,N-dimethylpiperidine-3-carboxamide is CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(C#N)c2)C1.
What is the InChIKey of (3S)-1-(3-cyanophenyl)sulfonyl-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is YGGAJYWRVGSFPI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-17(2)15(19)13-6-4-8-18(11-13)22(20,21)14-7-3-5-12(9-14)10-16/h3,5,7,9,13H,4,6,8,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-1-(3-cyanophenyl)sulfonyl-N,N-dimethylpiperidine-3-carboxamide?
(3S)-1-(3-cyanophenyl)sulfonyl-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-cyanophenyl)sulfonyl-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 94801085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).