1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide

C18H21N3O3S — CID 46651644

IUPAC1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
SMILESCc1cccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C18H21N3O3S/c1-14-8-7-12-17(19-14)20-18(22)16-11-5-6-13-21(16)25(23,24)15-9-3-2-4-10-15/h2-4,7-10,12,16H,5-6,11,13H2,1H3,(H,19,20,22)
InChIKeyULLDEZBUZHJRPM-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.57
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide

1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide (PubChem CID 46651644) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
PubChem CID46651644
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
SMILESCc1cccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C18H21N3O3S/c1-14-8-7-12-17(19-14)20-18(22)16-11-5-6-13-21(16)25(23,24)15-9-3-2-4-10-15/h2-4,7-10,12,16H,5-6,11,13H2,1H3,(H,19,20,22)
InChIKeyULLDEZBUZHJRPM-UHFFFAOYSA-N
XLogP2.57
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 25381432
N-(6-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826437
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 41343401
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510
1-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 18077763
1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 2928504
(2R)-N-(6-ethyl-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53488267
1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 42890844
1-(benzenesulfonyl)-N-(2-ethyl-6-methylphenyl)piperidine-2-carboxamide
CID 5003756
6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide
CID 167955369
(2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide
CID 8714416
1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43926596

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide (CID 46651644) is 1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide is Cc1cccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide?
The InChIKey is ULLDEZBUZHJRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-14-8-7-12-17(19-14)20-18(22)16-11-5-6-13-21(16)25(23,24)15-9-3-2-4-10-15/h2-4,7-10,12,16H,5-6,11,13H2,1H3,(H,19,20,22).
What are the key properties of 1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide is sourced from PubChem (CID 46651644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).