2-(3-chlorophenyl)sulfinylethanamine

C8H10ClNOS — CID 62645966

IUPAC2-(3-chlorophenyl)sulfinylethanamine
SMILESNCCS(=O)c1cccc(Cl)c1
InChIInChI=1S/C8H10ClNOS/c9-7-2-1-3-8(6-7)12(11)5-4-10/h1-3,6H,4-5,10H2
InChIKeyPFCKCJSHKVNEFI-UHFFFAOYSA-N
MW203.69 g/mol
LogP1.41
Rot. Bonds3

About 2-(3-chlorophenyl)sulfinylethanamine

2-(3-chlorophenyl)sulfinylethanamine (PubChem CID 62645966) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfinylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfinylethanamine
PubChem CID62645966
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name2-(3-chlorophenyl)sulfinylethanamine
SMILESNCCS(=O)c1cccc(Cl)c1
InChIInChI=1S/C8H10ClNOS/c9-7-2-1-3-8(6-7)12(11)5-4-10/h1-3,6H,4-5,10H2
InChIKeyPFCKCJSHKVNEFI-UHFFFAOYSA-N
XLogP1.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenyl)sulfinylethanamine 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-chlorophenyl)sulfinylethanamine?
The IUPAC name of 2-(3-chlorophenyl)sulfinylethanamine (CID 62645966) is 2-(3-chlorophenyl)sulfinylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfinylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)sulfinylethanamine is NCCS(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfinylethanamine?
The InChIKey is PFCKCJSHKVNEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c9-7-2-1-3-8(6-7)12(11)5-4-10/h1-3,6H,4-5,10H2.
What are the key properties of 2-(3-chlorophenyl)sulfinylethanamine?
2-(3-chlorophenyl)sulfinylethanamine has a molecular weight of 203.69 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfinylethanamine is sourced from PubChem (CID 62645966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).