4-methyl-N-[4-(methylsulfamoyl)phenyl]piperidine-4-carboxamide

C14H21N3O3S — CID 63121716

IUPAC4-methyl-N-[4-(methylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)C2(C)CCNCC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-14(7-9-16-10-8-14)13(18)17-11-3-5-12(6-4-11)21(19,20)15-2/h3-6,15-16H,7-10H2,1-2H3,(H,17,18)
InChIKeyJMILQBXOFUOWRA-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.92
Rot. Bonds4

About 4-methyl-N-[4-(methylsulfamoyl)phenyl]piperidine-4-carboxamide

4-methyl-N-[4-(methylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 63121716) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-methyl-N-[4-(methylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(methylsulfamoyl)phenyl]piperidine-4-carboxamide
PubChem CID63121716
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-methyl-N-[4-(methylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)C2(C)CCNCC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-14(7-9-16-10-8-14)13(18)17-11-3-5-12(6-4-11)21(19,20)15-2/h3-6,15-16H,7-10H2,1-2H3,(H,17,18)
InChIKeyJMILQBXOFUOWRA-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 63121506
4-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 63121646
N-(4-carbamoylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121565
1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide
CID 81178892
2-amino-1-methyl-N-[4-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 82763880
4-methyl-N-thiophen-3-ylpiperidine-4-carboxamide
CID 66352171
1-methyl-N-(4-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 16584802
4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide
CID 55177366
3-methyl-N-[3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 63130562
N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165707
N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121630
N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121700

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(methylsulfamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-methyl-N-[4-(methylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 63121716) is 4-methyl-N-[4-(methylsulfamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(methylsulfamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(methylsulfamoyl)phenyl]piperidine-4-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)C2(C)CCNCC2)cc1.
What is the InChIKey of 4-methyl-N-[4-(methylsulfamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is JMILQBXOFUOWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-14(7-9-16-10-8-14)13(18)17-11-3-5-12(6-4-11)21(19,20)15-2/h3-6,15-16H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-N-[4-(methylsulfamoyl)phenyl]piperidine-4-carboxamide?
4-methyl-N-[4-(methylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(methylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 63121716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).