(2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide

C13H19N3O3S — CID 103809348

IUPAC(2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C13H19N3O3S/c1-14-20(18,19)11-6-4-5-10(9-11)16-13(17)12-7-2-3-8-15-12/h4-6,9,12,14-15H,2-3,7-8H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyZJPFPJPLLKGKEE-GFCCVEGCSA-N
MW297.38 g/mol
LogP0.68
Rot. Bonds4

About (2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide

(2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide (PubChem CID 103809348) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is (2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
PubChem CID103809348
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name(2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C13H19N3O3S/c1-14-20(18,19)11-6-4-5-10(9-11)16-13(17)12-7-2-3-8-15-12/h4-6,9,12,14-15H,2-3,7-8H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyZJPFPJPLLKGKEE-GFCCVEGCSA-N
XLogP0.68
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711574
(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 61178611
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 43710007
(2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 104912791
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119281759
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
CID 103809256
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
CID 103808988
N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233916
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262082

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide (CID 103809348) is (2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide is CNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCCCN2)c1.
What is the InChIKey of (2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide?
The InChIKey is ZJPFPJPLLKGKEE-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-14-20(18,19)11-6-4-5-10(9-11)16-13(17)12-7-2-3-8-15-12/h4-6,9,12,14-15H,2-3,7-8H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide?
(2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 103809348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).