(2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride

C15H24ClN3O3S — CID 120618117

IUPAC(2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(NC(=O)[C@H]2CCN[C@@H](C)C2)ccc1C.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-10-4-5-13(9-14(10)22(20,21)16-3)18-15(19)12-6-7-17-11(2)8-12;/h4-5,9,11-12,16-17H,6-8H2,1-3H3,(H,18,19);1H/t11-,12-;/m0./s1
InChIKeyRBJWUTKJTLJYGH-FXMYHANSSA-N
MW361.90 g/mol
LogP1.65
Rot. Bonds4

About (2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120618117) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120618117
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name(2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(NC(=O)[C@H]2CCN[C@@H](C)C2)ccc1C.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-10-4-5-13(9-14(10)22(20,21)16-3)18-15(19)12-6-7-17-11(2)8-12;/h4-5,9,11-12,16-17H,6-8H2,1-3H3,(H,18,19);1H/t11-,12-;/m0./s1
InChIKeyRBJWUTKJTLJYGH-FXMYHANSSA-N
XLogP1.65
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide
CID 120634945
N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119270691
N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 78788592
(2S,4S)-N-[3-(methanesulfonamido)-4-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620801
(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247
N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233916
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620817
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120620818
(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620325
(2S,4S)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635307
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride (CID 120618117) is (2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride is CNS(=O)(=O)c1cc(NC(=O)[C@H]2CCN[C@@H](C)C2)ccc1C.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is RBJWUTKJTLJYGH-FXMYHANSSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-10-4-5-13(9-14(10)22(20,21)16-3)18-15(19)12-6-7-17-11(2)8-12;/h4-5,9,11-12,16-17H,6-8H2,1-3H3,(H,18,19);1H/t11-,12-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120618117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).