3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide

C13H19N3O3S — CID 102778116

IUPAC3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)C2NCCC2C)cc1
InChIInChI=1S/C13H19N3O3S/c1-9-7-8-15-12(9)13(17)16-10-3-5-11(6-4-10)20(18,19)14-2/h3-6,9,12,14-15H,7-8H2,1-2H3,(H,16,17)
InChIKeyILGPJZQOYFLMMF-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.53
Rot. Bonds4

About 3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide

3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 102778116) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID102778116
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)C2NCCC2C)cc1
InChIInChI=1S/C13H19N3O3S/c1-9-7-8-15-12(9)13(17)16-10-3-5-11(6-4-10)20(18,19)14-2/h3-6,9,12,14-15H,7-8H2,1-2H3,(H,16,17)
InChIKeyILGPJZQOYFLMMF-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 79389311
(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 61178611
N-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide
CID 107067354
3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 102778022
2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 102779763
3-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]butanoic acid
CID 102780012
N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102778093
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091
3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 102778074
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 102777495
N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777994
3-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 102777058

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide (CID 102778116) is 3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)C2NCCC2C)cc1.
What is the InChIKey of 3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is ILGPJZQOYFLMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-7-8-15-12(9)13(17)16-10-3-5-11(6-4-10)20(18,19)14-2/h3-6,9,12,14-15H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102778116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).