N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline

C16H25NO2S — CID 43689650

IUPACN-(4-ethylcyclohexyl)-4-ethylsulfonylaniline
SMILESCCC1CCC(Nc2ccc(S(=O)(=O)CC)cc2)CC1
InChIInChI=1S/C16H25NO2S/c1-3-13-5-7-14(8-6-13)17-15-9-11-16(12-10-15)20(18,19)4-2/h9-14,17H,3-8H2,1-2H3
InChIKeyWLNOJXMDVVAVFH-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.86
Rot. Bonds5

About N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline

N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline (PubChem CID 43689650) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-4-ethylsulfonylaniline
PubChem CID43689650
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-(4-ethylcyclohexyl)-4-ethylsulfonylaniline
SMILESCCC1CCC(Nc2ccc(S(=O)(=O)CC)cc2)CC1
InChIInChI=1S/C16H25NO2S/c1-3-13-5-7-14(8-6-13)17-15-9-11-16(12-10-15)20(18,19)4-2/h9-14,17H,3-8H2,1-2H3
InChIKeyWLNOJXMDVVAVFH-UHFFFAOYSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline 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-(4-ethylsulfonylphenyl)oxan-4-amine
CID 43610393
N-(3,4-dimethylcyclohexyl)-4-ethylsulfonylaniline
CID 64731826
4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline
CID 113467284
N-(4-ethylsulfonylphenyl)oxepan-4-amine
CID 65082034
(4S)-N-(4-ethylsulfonylphenyl)oxepan-4-amine
CID 124512282
4-(cyclopropylmethylsulfonyl)-N-methylaniline
CID 174884651
4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 43453953
methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate
CID 43730246
3-(4-ethylsulfonylanilino)cyclohexane-1-carboxylic acid
CID 63042415
1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine
CID 61170389
2-amino-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide
CID 79466437
4-ethyl-N-phenylcycloheptan-1-amine
CID 65082236

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline?
The IUPAC name of N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline (CID 43689650) is N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline.
What is the SMILES notation for N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline?
The canonical SMILES for N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline is CCC1CCC(Nc2ccc(S(=O)(=O)CC)cc2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline?
The InChIKey is WLNOJXMDVVAVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-3-13-5-7-14(8-6-13)17-15-9-11-16(12-10-15)20(18,19)4-2/h9-14,17H,3-8H2,1-2H3.
What are the key properties of N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline?
N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline has a molecular weight of 295.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline is sourced from PubChem (CID 43689650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).