3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid

C8H13NO6S2 — CID 63780421

IUPAC3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(=O)CS(=O)(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C8H13NO6S2/c1-5-9(6(3-16-5)8(11)12)17(13,14)4-7(10)15-2/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyZRBIOGIJTLVCLG-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.66
Rot. Bonds4

About 3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780421) has the molecular formula C8H13NO6S2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780421
Molecular FormulaC8H13NO6S2
Molecular Weight283.33 g/mol
Exact Mass283.02
IUPAC Name3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(=O)CS(=O)(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C8H13NO6S2/c1-5-9(6(3-16-5)8(11)12)17(13,14)4-7(10)15-2/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyZRBIOGIJTLVCLG-UHFFFAOYSA-N
XLogP-0.66
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxy-2-oxoethyl)sulfonyl-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-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63780421) is 3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is COC(=O)CS(=O)(=O)N1C(C)SCC1C(=O)O.
What is the InChIKey of 3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZRBIOGIJTLVCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO6S2/c1-5-9(6(3-16-5)8(11)12)17(13,14)4-7(10)15-2/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of -0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).