2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine

C16H24ClNOS — CID 103290362

IUPAC2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(S(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C16H24ClNOS/c1-2-5-12-8-9-15(18)16(10-12)20(19)11-13-6-3-4-7-14(13)17/h3-4,6-7,12,15-16H,2,5,8-11,18H2,1H3
InChIKeyOCLGRHBKHHBZOD-UHFFFAOYSA-N
MW313.89 g/mol
LogP3.88
Rot. Bonds5

About 2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine

2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine (PubChem CID 103290362) has the molecular formula C16H24ClNOS and a molecular weight of 313.89 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine
PubChem CID103290362
Molecular FormulaC16H24ClNOS
Molecular Weight313.89 g/mol
Exact Mass313.13
IUPAC Name2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(S(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C16H24ClNOS/c1-2-5-12-8-9-15(18)16(10-12)20(19)11-13-6-3-4-7-14(13)17/h3-4,6-7,12,15-16H,2,5,8-11,18H2,1H3
InChIKeyOCLGRHBKHHBZOD-UHFFFAOYSA-N
XLogP3.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.89
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-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-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine (CID 103290362) is 2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(S(=O)Cc2ccccc2Cl)C1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine?
The InChIKey is OCLGRHBKHHBZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNOS/c1-2-5-12-8-9-15(18)16(10-12)20(19)11-13-6-3-4-7-14(13)17/h3-4,6-7,12,15-16H,2,5,8-11,18H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine?
2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine has a molecular weight of 313.89 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 103290362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).