N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide

C14H22N2O2S — CID 79860490

IUPACN-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide
SMILESCC1(C)CCCC1Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O2S/c1-14(2)10-4-5-13(14)15-11-6-8-12(9-7-11)16-19(3,17)18/h6-9,13,15-16H,4-5,10H2,1-3H3
InChIKeyWSDVTAPNEJMTMO-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.05
Rot. Bonds4

About N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide

N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide (PubChem CID 79860490) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide
PubChem CID79860490
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide
SMILESCC1(C)CCCC1Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O2S/c1-14(2)10-4-5-13(14)15-11-6-8-12(9-7-11)16-19(3,17)18/h6-9,13,15-16H,4-5,10H2,1-3H3
InChIKeyWSDVTAPNEJMTMO-UHFFFAOYSA-N
XLogP3.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide
CID 79870274
N-(2,2-dimethylcyclopentyl)-4-nitroaniline
CID 79859591
4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide
CID 79871213
N-(2,2-dimethylcyclohexyl)-4-fluoroaniline
CID 79828345
N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide
CID 79860812
4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine
CID 79862138
N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 79860710
N-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline
CID 79859529
2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79859610
N-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline
CID 79860379
4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide
CID 79860273
N-(4-cyclobutylphenyl)methanesulfonamide
CID 170179821

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide (CID 79860490) is N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide is CC1(C)CCCC1Nc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide?
The InChIKey is WSDVTAPNEJMTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(2)10-4-5-13(14)15-11-6-8-12(9-7-11)16-19(3,17)18/h6-9,13,15-16H,4-5,10H2,1-3H3.
What are the key properties of N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide?
N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 79860490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).