2-(2-hydroxyethylsulfinyl)-N-pyridin-2-ylacetamide

C9H12N2O3S — CID 123117396

IUPAC2-(2-hydroxyethylsulfinyl)-N-pyridin-2-ylacetamide
SMILESO=C(CS(=O)CCO)Nc1ccccn1
InChIInChI=1S/C9H12N2O3S/c12-5-6-15(14)7-9(13)11-8-3-1-2-4-10-8/h1-4,12H,5-7H2,(H,10,11,13)
InChIKeyLLWWCENCFOCFOT-UHFFFAOYSA-N
MW228.27 g/mol
LogP-0.24
Rot. Bonds5

About 2-(2-hydroxyethylsulfinyl)-N-pyridin-2-ylacetamide

2-(2-hydroxyethylsulfinyl)-N-pyridin-2-ylacetamide (PubChem CID 123117396) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfinyl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfinyl)-N-pyridin-2-ylacetamide
PubChem CID123117396
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-(2-hydroxyethylsulfinyl)-N-pyridin-2-ylacetamide
SMILESO=C(CS(=O)CCO)Nc1ccccn1
InChIInChI=1S/C9H12N2O3S/c12-5-6-15(14)7-9(13)11-8-3-1-2-4-10-8/h1-4,12H,5-7H2,(H,10,11,13)
InChIKeyLLWWCENCFOCFOT-UHFFFAOYSA-N
XLogP-0.24
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-hydroxyethylsulfinyl)-N-pyridin-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-dipyridin-2-ylbutanediamide
CID 3684644
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
2-pyridin-2-ylsulfinylethanol
CID 54422072
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
3,3-dimethyl-N-pyridin-2-ylpentanamide
CID 134494130
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
5-oxo-5-phenyl-N-pyridin-2-ylpentanamide
CID 108796237
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
N'-ethyl-N'-(2-hydroxyethyl)-N-pyridin-2-yloxamide
CID 108525117
N-pyridin-2-yl-3-pyrrolidin-1-ylpropanamide
CID 110688245
2-(diethylamino)-N-pyridin-2-ylpropanamide
CID 131880299
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfinyl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(2-hydroxyethylsulfinyl)-N-pyridin-2-ylacetamide (CID 123117396) is 2-(2-hydroxyethylsulfinyl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(2-hydroxyethylsulfinyl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(2-hydroxyethylsulfinyl)-N-pyridin-2-ylacetamide is O=C(CS(=O)CCO)Nc1ccccn1.
What is the InChIKey of 2-(2-hydroxyethylsulfinyl)-N-pyridin-2-ylacetamide?
The InChIKey is LLWWCENCFOCFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c12-5-6-15(14)7-9(13)11-8-3-1-2-4-10-8/h1-4,12H,5-7H2,(H,10,11,13).
What are the key properties of 2-(2-hydroxyethylsulfinyl)-N-pyridin-2-ylacetamide?
2-(2-hydroxyethylsulfinyl)-N-pyridin-2-ylacetamide has a molecular weight of 228.27 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfinyl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 123117396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).