N-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline

C14H18F3NO2S — CID 64921633

IUPACN-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline
SMILESCC1CCC(Nc2ccccc2S(=O)(=O)C(F)(F)F)C1C
InChIInChI=1S/C14H18F3NO2S/c1-9-7-8-11(10(9)2)18-12-5-3-4-6-13(12)21(19,20)14(15,16)17/h3-6,9-11,18H,7-8H2,1-2H3
InChIKeyUNQGKBVVVWLVJE-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.83
Rot. Bonds3

About N-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline

N-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline (PubChem CID 64921633) has the molecular formula C14H18F3NO2S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline
PubChem CID64921633
Molecular FormulaC14H18F3NO2S
Molecular Weight321.36 g/mol
Exact Mass321.10
IUPAC NameN-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline
SMILESCC1CCC(Nc2ccccc2S(=O)(=O)C(F)(F)F)C1C
InChIInChI=1S/C14H18F3NO2S/c1-9-7-8-11(10(9)2)18-12-5-3-4-6-13(12)21(19,20)14(15,16)17/h3-6,9-11,18H,7-8H2,1-2H3
InChIKeyUNQGKBVVVWLVJE-UHFFFAOYSA-N
XLogP3.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline 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

2-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclopentyl)aniline
CID 64922621
2-methyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine
CID 103889248
N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline
CID 63536597
N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide
CID 64922831
N-[2-(trifluoromethylsulfonyl)phenyl]oxan-3-amine
CID 63364024
1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine
CID 47982910
N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427667
2-[(2,3-dimethylcyclopentyl)amino]-6-fluorobenzoic acid
CID 79511448
N-(2,4-dimethylcyclohexyl)-2-methylsulfonylaniline
CID 63996716
N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427587
2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide
CID 64921417
2,3-dimethyl-3-[2-(trifluoromethylsulfonyl)anilino]butan-2-ol
CID 106185939

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline (CID 64921633) is N-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline is CC1CCC(Nc2ccccc2S(=O)(=O)C(F)(F)F)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline?
The InChIKey is UNQGKBVVVWLVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2S/c1-9-7-8-11(10(9)2)18-12-5-3-4-6-13(12)21(19,20)14(15,16)17/h3-6,9-11,18H,7-8H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline?
N-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline has a molecular weight of 321.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline is sourced from PubChem (CID 64921633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).