2-(2,5-dimethylphenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine

C16H25NS — CID 64736369

IUPAC2-(2,5-dimethylphenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine
SMILESCc1ccc(C)c(SC2C(C)CC(C)CC2N)c1
InChIInChI=1S/C16H25NS/c1-10-5-6-12(3)15(9-10)18-16-13(4)7-11(2)8-14(16)17/h5-6,9,11,13-14,16H,7-8,17H2,1-4H3
InChIKeyKFSXXATZEUPXMI-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.16
Rot. Bonds2

About 2-(2,5-dimethylphenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine

2-(2,5-dimethylphenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine (PubChem CID 64736369) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine
PubChem CID64736369
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine
SMILESCc1ccc(C)c(SC2C(C)CC(C)CC2N)c1
InChIInChI=1S/C16H25NS/c1-10-5-6-12(3)15(9-10)18-16-13(4)7-11(2)8-14(16)17/h5-6,9,11,13-14,16H,7-8,17H2,1-4H3
InChIKeyKFSXXATZEUPXMI-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dimethylphenyl)sulfanyl-3,5-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-(2,5-dimethylphenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine (CID 64736369) is 2-(2,5-dimethylphenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine is Cc1ccc(C)c(SC2C(C)CC(C)CC2N)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine?
The InChIKey is KFSXXATZEUPXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-10-5-6-12(3)15(9-10)18-16-13(4)7-11(2)8-14(16)17/h5-6,9,11,13-14,16H,7-8,17H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine?
2-(2,5-dimethylphenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64736369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).