[2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine

C14H27NO2S — CID 81010799

IUPAC[2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine
SMILESCS(=O)(=O)C1CCCC(C2CCCCC2CN)C1
InChIInChI=1S/C14H27NO2S/c1-18(16,17)13-7-4-6-11(9-13)14-8-3-2-5-12(14)10-15/h11-14H,2-10,15H2,1H3
InChIKeyIYOYNHGTQVBQRK-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.35
Rot. Bonds3

About [2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine

[2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine (PubChem CID 81010799) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is [2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine
PubChem CID81010799
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name[2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine
SMILESCS(=O)(=O)C1CCCC(C2CCCCC2CN)C1
InChIInChI=1S/C14H27NO2S/c1-18(16,17)13-7-4-6-11(9-13)14-8-3-2-5-12(14)10-15/h11-14H,2-10,15H2,1H3
InChIKeyIYOYNHGTQVBQRK-UHFFFAOYSA-N
XLogP2.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine 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-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine?
The IUPAC name of [2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine (CID 81010799) is [2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine.
What is the SMILES notation for [2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine?
The canonical SMILES for [2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine is CS(=O)(=O)C1CCCC(C2CCCCC2CN)C1.
What is the InChIKey of [2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine?
The InChIKey is IYOYNHGTQVBQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-18(16,17)13-7-4-6-11(9-13)14-8-3-2-5-12(14)10-15/h11-14H,2-10,15H2,1H3.
What are the key properties of [2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine?
[2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine has a molecular weight of 273.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine is sourced from PubChem (CID 81010799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).