1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide

C15H22N2O3S — CID 51179844

IUPAC1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C15H22N2O3S/c1-12(2)16-15(18)13-7-6-10-17(11-13)21(19,20)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,16,18)
InChIKeyBQZDZELFPGHCRQ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.61
Rot. Bonds4

About 1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide

1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 51179844) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID51179844
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C15H22N2O3S/c1-12(2)16-15(18)13-7-6-10-17(11-13)21(19,20)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,16,18)
InChIKeyBQZDZELFPGHCRQ-UHFFFAOYSA-N
XLogP1.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(benzenesulfonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 39878026
1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide
CID 46438239
(3R)-1-(benzenesulfonyl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 93476471
1-(benzenesulfonyl)-N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 46437870
(3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 1456757
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 30404582
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]piperidine-3-carboxamide
CID 100659484
2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 71710466
(3S)-N-benzhydryl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078436
1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 2981997
2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid
CID 120703129
(3R)-1-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperidine-3-carboxamide
CID 41009604

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide (CID 51179844) is 1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide is CC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is BQZDZELFPGHCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12(2)16-15(18)13-7-6-10-17(11-13)21(19,20)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,16,18).
What are the key properties of 1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide?
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 51179844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).