2-(2-aminocyclohexyl)sulfanylcyclohexan-1-amine

C12H24N2S — CID 68500381

IUPAC2-(2-aminocyclohexyl)sulfanylcyclohexan-1-amine
SMILESNC1CCCCC1SC1CCCCC1N
InChIInChI=1S/C12H24N2S/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h9-12H,1-8,13-14H2
InChIKeyPGCOBYFPJHNFQC-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.26
Rot. Bonds2

About 2-(2-aminocyclohexyl)sulfanylcyclohexan-1-amine

2-(2-aminocyclohexyl)sulfanylcyclohexan-1-amine (PubChem CID 68500381) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 2-(2-aminocyclohexyl)sulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-aminocyclohexyl)sulfanylcyclohexan-1-amine
PubChem CID68500381
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name2-(2-aminocyclohexyl)sulfanylcyclohexan-1-amine
SMILESNC1CCCCC1SC1CCCCC1N
InChIInChI=1S/C12H24N2S/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h9-12H,1-8,13-14H2
InChIKeyPGCOBYFPJHNFQC-UHFFFAOYSA-N
XLogP2.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-aminocyclohexyl)sulfanylcyclohexan-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-aminocyclohexyl)sulfanylcyclohexan-1-amine?
The IUPAC name of 2-(2-aminocyclohexyl)sulfanylcyclohexan-1-amine (CID 68500381) is 2-(2-aminocyclohexyl)sulfanylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-aminocyclohexyl)sulfanylcyclohexan-1-amine?
The canonical SMILES for 2-(2-aminocyclohexyl)sulfanylcyclohexan-1-amine is NC1CCCCC1SC1CCCCC1N.
What is the InChIKey of 2-(2-aminocyclohexyl)sulfanylcyclohexan-1-amine?
The InChIKey is PGCOBYFPJHNFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h9-12H,1-8,13-14H2.
What are the key properties of 2-(2-aminocyclohexyl)sulfanylcyclohexan-1-amine?
2-(2-aminocyclohexyl)sulfanylcyclohexan-1-amine has a molecular weight of 228.40 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocyclohexyl)sulfanylcyclohexan-1-amine is sourced from PubChem (CID 68500381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).