3-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

C13H18N2O4S2 — CID 63782020

IUPAC3-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H18N2O4S2/c1-10-15(12(9-20-10)13(16)17)21(18,19)14(2)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,17)
InChIKeyDCLUCMQDVIEKJS-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.21
Rot. Bonds5

About 3-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63782020) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63782020
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC Name3-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H18N2O4S2/c1-10-15(12(9-20-10)13(16)17)21(18,19)14(2)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,17)
InChIKeyDCLUCMQDVIEKJS-UHFFFAOYSA-N
XLogP1.21
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid 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-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63782020) is 3-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DCLUCMQDVIEKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c1-10-15(12(9-20-10)13(16)17)21(18,19)14(2)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 3-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63782020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).