(3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide

C13H27N3O3S — CID 28958223

IUPAC(3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C13H27N3O3S/c1-5-7-11(2)14-13(17)12-8-6-9-16(10-12)20(18,19)15(3)4/h11-12H,5-10H2,1-4H3,(H,14,17)/t11-,12+/m0/s1
InChIKeyNYEQSCCIXFGRQG-NWDGAFQWSA-N
MW305.44 g/mol
LogP0.81
Rot. Bonds6

About (3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide

(3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide (PubChem CID 28958223) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is (3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
PubChem CID28958223
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name(3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C13H27N3O3S/c1-5-7-11(2)14-13(17)12-8-6-9-16(10-12)20(18,19)15(3)4/h11-12H,5-10H2,1-4H3,(H,14,17)/t11-,12+/m0/s1
InChIKeyNYEQSCCIXFGRQG-NWDGAFQWSA-N
XLogP0.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide
CID 125074634
(3R)-1-(dimethylsulfamoyl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 28567035
(3R)-1-(dimethylsulfamoyl)-N-methylpiperidine-3-carboxamide
CID 94012254
(3R)-1-(dimethylsulfamoyl)-N,N-dimethylpiperidine-3-carboxamide
CID 92684694
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 38018238
(3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 95194832
1-(dimethylsulfamoyl)-N-[1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 43876701
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide
CID 30379738
(3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 95880412
(3R)-N-cyclopentyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92686253
(3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide
CID 92685694
(3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 41302198

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide (CID 28958223) is (3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide is CCC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of (3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?
The InChIKey is NYEQSCCIXFGRQG-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-5-7-11(2)14-13(17)12-8-6-9-16(10-12)20(18,19)15(3)4/h11-12H,5-10H2,1-4H3,(H,14,17)/t11-,12+/m0/s1.
What are the key properties of (3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?
(3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide has a molecular weight of 305.44 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 28958223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).