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

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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).