2-(benzenesulfinyl)-N,N-dimethylethanamine

C10H15NOS — CID 778848

IUPAC2-(benzenesulfinyl)-N,N-dimethylethanamine
SMILESCN(C)CCS(=O)c1ccccc1
InChIInChI=1S/C10H15NOS/c1-11(2)8-9-13(12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyCOUGFVDUWCWUJI-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.36
Rot. Bonds4

About 2-(benzenesulfinyl)-N,N-dimethylethanamine

2-(benzenesulfinyl)-N,N-dimethylethanamine (PubChem CID 778848) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(benzenesulfinyl)-N,N-dimethylethanamine
PubChem CID778848
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-(benzenesulfinyl)-N,N-dimethylethanamine
SMILESCN(C)CCS(=O)c1ccccc1
InChIInChI=1S/C10H15NOS/c1-11(2)8-9-13(12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyCOUGFVDUWCWUJI-UHFFFAOYSA-N
XLogP1.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(benzenesulfinyl)-N,N-dimethylethanamine 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-(benzenesulfinyl)-N,N-dimethylethanamine?
The IUPAC name of 2-(benzenesulfinyl)-N,N-dimethylethanamine (CID 778848) is 2-(benzenesulfinyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(benzenesulfinyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(benzenesulfinyl)-N,N-dimethylethanamine is CN(C)CCS(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)-N,N-dimethylethanamine?
The InChIKey is COUGFVDUWCWUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-11(2)8-9-13(12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-(benzenesulfinyl)-N,N-dimethylethanamine?
2-(benzenesulfinyl)-N,N-dimethylethanamine has a molecular weight of 197.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-N,N-dimethylethanamine is sourced from PubChem (CID 778848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).