4-tert-butyl-N-(2-methylsulfonylcyclopentyl)aniline

C16H25NO2S — CID 65046952

IUPAC4-tert-butyl-N-(2-methylsulfonylcyclopentyl)aniline
SMILESCC(C)(C)c1ccc(NC2CCCC2S(C)(=O)=O)cc1
InChIInChI=1S/C16H25NO2S/c1-16(2,3)12-8-10-13(11-9-12)17-14-6-5-7-15(14)20(4,18)19/h8-11,14-15,17H,5-7H2,1-4H3
InChIKeySQPZSIPHWBJQSM-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.36
Rot. Bonds3

About 4-tert-butyl-N-(2-methylsulfonylcyclopentyl)aniline

4-tert-butyl-N-(2-methylsulfonylcyclopentyl)aniline (PubChem CID 65046952) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-methylsulfonylcyclopentyl)aniline.

Molecular Properties

Compound Name4-tert-butyl-N-(2-methylsulfonylcyclopentyl)aniline
PubChem CID65046952
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name4-tert-butyl-N-(2-methylsulfonylcyclopentyl)aniline
SMILESCC(C)(C)c1ccc(NC2CCCC2S(C)(=O)=O)cc1
InChIInChI=1S/C16H25NO2S/c1-16(2,3)12-8-10-13(11-9-12)17-14-6-5-7-15(14)20(4,18)19/h8-11,14-15,17H,5-7H2,1-4H3
InChIKeySQPZSIPHWBJQSM-UHFFFAOYSA-N
XLogP3.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-(2-methylsulfonylcyclopentyl)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

N-(2-methylsulfonylcyclopentyl)-3-(trifluoromethyl)aniline
CID 65046898
2-methyl-5-[(2-methylsulfonylcyclopentyl)amino]phenol
CID 107700094
2-(4-tert-butylanilino)cyclohexan-1-ol
CID 60884412
2-chloro-1-N,1-N-dimethyl-4-N-(2-methylsulfonylcyclopentyl)benzene-1,4-diamine
CID 65046253
2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine
CID 102571444
4-methyl-N-(2-methylsulfonylcyclopentyl)-3-nitroaniline
CID 65044524
5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one
CID 65046145
2-N,2-N-diethyl-5-N-(2-methylsulfonylcyclopentyl)pyridine-2,5-diamine
CID 65043880
[3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol
CID 65044032
cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 94586193
4-tert-butyl-N-(3-methylcyclohexyl)aniline
CID 43099749
N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine
CID 65046366

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-methylsulfonylcyclopentyl)aniline?
The IUPAC name of 4-tert-butyl-N-(2-methylsulfonylcyclopentyl)aniline (CID 65046952) is 4-tert-butyl-N-(2-methylsulfonylcyclopentyl)aniline.
What is the SMILES notation for 4-tert-butyl-N-(2-methylsulfonylcyclopentyl)aniline?
The canonical SMILES for 4-tert-butyl-N-(2-methylsulfonylcyclopentyl)aniline is CC(C)(C)c1ccc(NC2CCCC2S(C)(=O)=O)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-methylsulfonylcyclopentyl)aniline?
The InChIKey is SQPZSIPHWBJQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-16(2,3)12-8-10-13(11-9-12)17-14-6-5-7-15(14)20(4,18)19/h8-11,14-15,17H,5-7H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(2-methylsulfonylcyclopentyl)aniline?
4-tert-butyl-N-(2-methylsulfonylcyclopentyl)aniline has a molecular weight of 295.45 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-methylsulfonylcyclopentyl)aniline is sourced from PubChem (CID 65046952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).