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

C13H27N3O3S — CID 125074634

IUPAC(3S)-1-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide
SMILESCC(C)[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C13H27N3O3S/c1-10(2)11(3)14-13(17)12-7-6-8-16(9-12)20(18,19)15(4)5/h10-12H,6-9H2,1-5H3,(H,14,17)/t11-,12-/m0/s1
InChIKeyNRUIFQKIRJKDDT-RYUDHWBXSA-N
MW305.44 g/mol
LogP0.67
Rot. Bonds5

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

(3S)-1-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide (PubChem CID 125074634) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is (3S)-1-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide
PubChem CID125074634
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name(3S)-1-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide
SMILESCC(C)[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C13H27N3O3S/c1-10(2)11(3)14-13(17)12-7-6-8-16(9-12)20(18,19)15(4)5/h10-12H,6-9H2,1-5H3,(H,14,17)/t11-,12-/m0/s1
InChIKeyNRUIFQKIRJKDDT-RYUDHWBXSA-N
XLogP0.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 28958223
1-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 131955942
(3R)-1-(dimethylsulfamoyl)-N-methylpiperidine-3-carboxamide
CID 94012254
(3R)-1-(dimethylsulfamoyl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 28567035
(3R)-N-cyclopentyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92686253
(3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
CID 95875644
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95877697
(3R)-1-(dimethylsulfamoyl)-N,N-dimethylpiperidine-3-carboxamide
CID 92684694
(3S)-1-(dimethylsulfamoyl)-N-(1-methylcyclohexyl)piperidine-3-carboxamide
CID 95877591
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide
CID 30379738
(3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 93488028
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 38018238

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide (CID 125074634) is (3S)-1-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide is CC(C)[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of (3S)-1-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide?
The InChIKey is NRUIFQKIRJKDDT-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-10(2)11(3)14-13(17)12-7-6-8-16(9-12)20(18,19)15(4)5/h10-12H,6-9H2,1-5H3,(H,14,17)/t11-,12-/m0/s1.
What are the key properties of (3S)-1-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide?
(3S)-1-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide has a molecular weight of 305.44 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 125074634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).