3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide

C14H21N3O3S — CID 66031082

IUPAC3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)C2CCC(N)C2)c1
InChIInChI=1S/C14H21N3O3S/c1-9-3-6-12(21(19,20)16-2)8-13(9)17-14(18)10-4-5-11(15)7-10/h3,6,8,10-11,16H,4-5,7,15H2,1-2H3,(H,17,18)
InChIKeyJHLBMLJMJIITND-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.97
Rot. Bonds4

About 3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide

3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 66031082) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
PubChem CID66031082
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)C2CCC(N)C2)c1
InChIInChI=1S/C14H21N3O3S/c1-9-3-6-12(21(19,20)16-2)8-13(9)17-14(18)10-4-5-11(15)7-10/h3,6,8,10-11,16H,4-5,7,15H2,1-2H3,(H,17,18)
InChIKeyJHLBMLJMJIITND-UHFFFAOYSA-N
XLogP0.97
TPSA101.29 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 ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 66008738
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
3-amino-N-[3-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731804
N-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982712
3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
CID 66008930
3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide
CID 79459145
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide
CID 119895255
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 79378122
(2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 104912791
3-amino-N-[3-(methylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119731808

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide (CID 66031082) is 3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide is CNS(=O)(=O)c1ccc(C)c(NC(=O)C2CCC(N)C2)c1.
What is the InChIKey of 3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is JHLBMLJMJIITND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-9-3-6-12(21(19,20)16-2)8-13(9)17-14(18)10-4-5-11(15)7-10/h3,6,8,10-11,16H,4-5,7,15H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 66031082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).