(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide

C15H23N3O3S — CID 39730085

IUPAC(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1
InChIInChI=1S/C15H23N3O3S/c1-17(2)22(20,21)18-10-6-9-14(12-18)15(19)16-11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,16,19)/t14-/m1/s1
InChIKeyCECDRUFDYNDKMD-CQSZACIVSA-N
MW325.43 g/mol
LogP0.82
Rot. Bonds5

About (3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide

(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide (PubChem CID 39730085) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is (3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
PubChem CID39730085
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1
InChIInChI=1S/C15H23N3O3S/c1-17(2)22(20,21)18-10-6-9-14(12-18)15(19)16-11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,16,19)/t14-/m1/s1
InChIKeyCECDRUFDYNDKMD-CQSZACIVSA-N
XLogP0.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 93486945
(3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 125075199
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 4215035
(3R)-1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1081586
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114
N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335778
(3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 28562303
(3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779953
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 38018238
(3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 1445009
1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 46772253

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide (CID 39730085) is (3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide is CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1.
What is the InChIKey of (3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The InChIKey is CECDRUFDYNDKMD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-17(2)22(20,21)18-10-6-9-14(12-18)15(19)16-11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,16,19)/t14-/m1/s1.
What are the key properties of (3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide is sourced from PubChem (CID 39730085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).