2-(4-methylphenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine

C16H25NS — CID 64619280

IUPAC2-(4-methylphenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine
SMILESCc1ccc(SC2CC(C(C)C)CCC2N)cc1
InChIInChI=1S/C16H25NS/c1-11(2)13-6-9-15(17)16(10-13)18-14-7-4-12(3)5-8-14/h4-5,7-8,11,13,15-16H,6,9-10,17H2,1-3H3
InChIKeyONLCPGNFODXFHV-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.24
Rot. Bonds3

About 2-(4-methylphenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine

2-(4-methylphenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 64619280) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID64619280
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name2-(4-methylphenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine
SMILESCc1ccc(SC2CC(C(C)C)CCC2N)cc1
InChIInChI=1S/C16H25NS/c1-11(2)13-6-9-15(17)16(10-13)18-14-7-4-12(3)5-8-14/h4-5,7-8,11,13,15-16H,6,9-10,17H2,1-3H3
InChIKeyONLCPGNFODXFHV-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylphenyl)sulfanyl-4-propan-2-ylcyclohexan-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-(4-methylphenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine (CID 64619280) is 2-(4-methylphenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine is Cc1ccc(SC2CC(C(C)C)CCC2N)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is ONLCPGNFODXFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-11(2)13-6-9-15(17)16(10-13)18-14-7-4-12(3)5-8-14/h4-5,7-8,11,13,15-16H,6,9-10,17H2,1-3H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine?
2-(4-methylphenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64619280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).