2-chloro-N-(2-oxothiolan-3-yl)acetamide

C6H8ClNO2S — CID 6490304

IUPAC2-chloro-N-(2-oxothiolan-3-yl)acetamide
SMILESO=C(CCl)NC1CCSC1=O
InChIInChI=1S/C6H8ClNO2S/c7-3-5(9)8-4-1-2-11-6(4)10/h4H,1-3H2,(H,8,9)
InChIKeyOSXVVUUZQNPXHC-UHFFFAOYSA-N
MW193.65 g/mol
LogP0.37
Rot. Bonds2

About 2-chloro-N-(2-oxothiolan-3-yl)acetamide

2-chloro-N-(2-oxothiolan-3-yl)acetamide (PubChem CID 6490304) has the molecular formula C6H8ClNO2S and a molecular weight of 193.65 g/mol. Its IUPAC name is 2-chloro-N-(2-oxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxothiolan-3-yl)acetamide
PubChem CID6490304
Molecular FormulaC6H8ClNO2S
Molecular Weight193.65 g/mol
Exact Mass193.00
IUPAC Name2-chloro-N-(2-oxothiolan-3-yl)acetamide
SMILESO=C(CCl)NC1CCSC1=O
InChIInChI=1S/C6H8ClNO2S/c7-3-5(9)8-4-1-2-11-6(4)10/h4H,1-3H2,(H,8,9)
InChIKeyOSXVVUUZQNPXHC-UHFFFAOYSA-N
XLogP0.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.65
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 2-chloro-N-(2-oxothiolan-3-yl)acetamide 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-chloro-N-(2-oxothiolan-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(2-oxothiolan-3-yl)acetamide (CID 6490304) is 2-chloro-N-(2-oxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-oxothiolan-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2-oxothiolan-3-yl)acetamide is O=C(CCl)NC1CCSC1=O.
What is the InChIKey of 2-chloro-N-(2-oxothiolan-3-yl)acetamide?
The InChIKey is OSXVVUUZQNPXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO2S/c7-3-5(9)8-4-1-2-11-6(4)10/h4H,1-3H2,(H,8,9).
What are the key properties of 2-chloro-N-(2-oxothiolan-3-yl)acetamide?
2-chloro-N-(2-oxothiolan-3-yl)acetamide has a molecular weight of 193.65 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-oxothiolan-3-yl)acetamide is sourced from PubChem (CID 6490304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).