(2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide

C14H21N3O3S — CID 104912791

IUPAC(2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C14H21N3O3S/c1-10-6-7-11(21(19,20)15-2)9-13(10)17-14(18)12-5-3-4-8-16-12/h6-7,9,12,15-16H,3-5,8H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyNBBPLQANRIIGGX-GFCCVEGCSA-N
MW311.41 g/mol
LogP0.98
Rot. Bonds4

About (2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide

(2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide (PubChem CID 104912791) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is (2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
PubChem CID104912791
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name(2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C14H21N3O3S/c1-10-6-7-11(21(19,20)15-2)9-13(10)17-14(18)12-5-3-4-8-16-12/h6-7,9,12,15-16H,3-5,8H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyNBBPLQANRIIGGX-GFCCVEGCSA-N
XLogP0.98
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 43703422
N-(5-chloro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264186
(2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103809348
2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 79378122
(2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119674019
(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 61178611
N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233916
N-(2-hydroxy-5-methylsulfonylphenyl)azepane-2-carboxamide
CID 81421925
(2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 104912877
(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 66478130
N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide
CID 103586007
(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide
CID 106954490

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide (CID 104912791) is (2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide is CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCCN2)c1.
What is the InChIKey of (2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide?
The InChIKey is NBBPLQANRIIGGX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-6-7-11(21(19,20)15-2)9-13(10)17-14(18)12-5-3-4-8-16-12/h6-7,9,12,15-16H,3-5,8H2,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide?
(2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 104912791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).