2-benzylsulfinylacetamide

C9H11NO2S — CID 23205551

IUPAC2-benzylsulfinylacetamide
SMILESNC(=O)CS(=O)Cc1ccccc1
InChIInChI=1S/C9H11NO2S/c10-9(11)7-13(12)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
InChIKeyWGNNAPPMBJDZKT-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.42
Rot. Bonds4

About 2-benzylsulfinylacetamide

2-benzylsulfinylacetamide (PubChem CID 23205551) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-benzylsulfinylacetamide.

Molecular Properties

Compound Name2-benzylsulfinylacetamide
PubChem CID23205551
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-benzylsulfinylacetamide
SMILESNC(=O)CS(=O)Cc1ccccc1
InChIInChI=1S/C9H11NO2S/c10-9(11)7-13(12)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
InChIKeyWGNNAPPMBJDZKT-UHFFFAOYSA-N
XLogP0.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzylsulfinylacetamide 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-benzylsulfinylacetamide?
The IUPAC name of 2-benzylsulfinylacetamide (CID 23205551) is 2-benzylsulfinylacetamide.
What is the SMILES notation for 2-benzylsulfinylacetamide?
The canonical SMILES for 2-benzylsulfinylacetamide is NC(=O)CS(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfinylacetamide?
The InChIKey is WGNNAPPMBJDZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c10-9(11)7-13(12)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11).
What are the key properties of 2-benzylsulfinylacetamide?
2-benzylsulfinylacetamide has a molecular weight of 197.26 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfinylacetamide is sourced from PubChem (CID 23205551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).