3-methyl-1,3-thiazolidine 1,1-dioxide

C4H9NO2S — CID 22967034

IUPAC3-methyl-1,3-thiazolidine 1,1-dioxide
SMILESCN1CCS(=O)(=O)C1
InChIInChI=1S/C4H9NO2S/c1-5-2-3-8(6,7)4-5/h2-4H2,1H3
InChIKeyLOCIPSGHGSBQNW-UHFFFAOYSA-N
MW135.19 g/mol
LogP-0.70
Rot. Bonds

About 3-methyl-1,3-thiazolidine 1,1-dioxide

3-methyl-1,3-thiazolidine 1,1-dioxide (PubChem CID 22967034) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is 3-methyl-1,3-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-1,3-thiazolidine 1,1-dioxide
PubChem CID22967034
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name3-methyl-1,3-thiazolidine 1,1-dioxide
SMILESCN1CCS(=O)(=O)C1
InChIInChI=1S/C4H9NO2S/c1-5-2-3-8(6,7)4-5/h2-4H2,1H3
InChIKeyLOCIPSGHGSBQNW-UHFFFAOYSA-N
XLogP-0.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1,3-thiazolidine 1,1-dioxide 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 3-methyl-1,3-thiazolidine 1,1-dioxide?
The IUPAC name of 3-methyl-1,3-thiazolidine 1,1-dioxide (CID 22967034) is 3-methyl-1,3-thiazolidine 1,1-dioxide.
What is the SMILES notation for 3-methyl-1,3-thiazolidine 1,1-dioxide?
The canonical SMILES for 3-methyl-1,3-thiazolidine 1,1-dioxide is CN1CCS(=O)(=O)C1.
What is the InChIKey of 3-methyl-1,3-thiazolidine 1,1-dioxide?
The InChIKey is LOCIPSGHGSBQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-5-2-3-8(6,7)4-5/h2-4H2,1H3.
What are the key properties of 3-methyl-1,3-thiazolidine 1,1-dioxide?
3-methyl-1,3-thiazolidine 1,1-dioxide has a molecular weight of 135.19 g/mol, XLogP of -0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-thiazolidine 1,1-dioxide is sourced from PubChem (CID 22967034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).