2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine

C16H25NO2S — CID 64640842

IUPAC2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine
SMILESCc1ccc(S(=O)(=O)C2CC(C)(C)CCC2N)c(C)c1
InChIInChI=1S/C16H25NO2S/c1-11-5-6-14(12(2)9-11)20(18,19)15-10-16(3,4)8-7-13(15)17/h5-6,9,13,15H,7-8,10,17H2,1-4H3
InChIKeyHHHJNCJAUMJNTE-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.98
Rot. Bonds2

About 2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine

2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine (PubChem CID 64640842) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine
PubChem CID64640842
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine
SMILESCc1ccc(S(=O)(=O)C2CC(C)(C)CCC2N)c(C)c1
InChIInChI=1S/C16H25NO2S/c1-11-5-6-14(12(2)9-11)20(18,19)15-10-16(3,4)8-7-13(15)17/h5-6,9,13,15H,7-8,10,17H2,1-4H3
InChIKeyHHHJNCJAUMJNTE-UHFFFAOYSA-N
XLogP2.98
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine (CID 64640842) is 2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine is Cc1ccc(S(=O)(=O)C2CC(C)(C)CCC2N)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine?
The InChIKey is HHHJNCJAUMJNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-11-5-6-14(12(2)9-11)20(18,19)15-10-16(3,4)8-7-13(15)17/h5-6,9,13,15H,7-8,10,17H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine?
2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64640842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).