2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine

C17H27NO2S — CID 64752881

IUPAC2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C17H27NO2S/c1-11-6-7-16(13(3)8-11)21(19,20)17-14(4)9-12(2)10-15(17)18-5/h6-8,12,14-15,17-18H,9-10H2,1-5H3
InChIKeySQGHIMPBASXJOC-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.10
Rot. Bonds3

About 2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine

2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64752881) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64752881
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C17H27NO2S/c1-11-6-7-16(13(3)8-11)21(19,20)17-14(4)9-12(2)10-15(17)18-5/h6-8,12,14-15,17-18H,9-10H2,1-5H3
InChIKeySQGHIMPBASXJOC-UHFFFAOYSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-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-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine (CID 64752881) is 2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1S(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is SQGHIMPBASXJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-11-6-7-16(13(3)8-11)21(19,20)17-14(4)9-12(2)10-15(17)18-5/h6-8,12,14-15,17-18H,9-10H2,1-5H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine?
2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 309.48 g/mol, XLogP of 3.10, 3 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-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64752881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).