(2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid

C6H8F3NO4S2 — CID 11885580

IUPAC(2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCS(=O)(=O)N1[C@@H](C(=O)O)CS[C@@H]1C(F)(F)F
InChIInChI=1S/C6H8F3NO4S2/c1-16(13,14)10-3(4(11)12)2-15-5(10)6(7,8)9/h3,5H,2H2,1H3,(H,11,12)/t3-,5-/m1/s1
InChIKeyIMXFHEHNQDZTMR-NQXXGFSBSA-N
MW279.26 g/mol
LogP0.34
Rot. Bonds2

About (2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid

(2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 11885580) has the molecular formula C6H8F3NO4S2 and a molecular weight of 279.26 g/mol. Its IUPAC name is (2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID11885580
Molecular FormulaC6H8F3NO4S2
Molecular Weight279.26 g/mol
Exact Mass278.98
IUPAC Name(2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCS(=O)(=O)N1[C@@H](C(=O)O)CS[C@@H]1C(F)(F)F
InChIInChI=1S/C6H8F3NO4S2/c1-16(13,14)10-3(4(11)12)2-15-5(10)6(7,8)9/h3,5H,2H2,1H3,(H,11,12)/t3-,5-/m1/s1
InChIKeyIMXFHEHNQDZTMR-NQXXGFSBSA-N
XLogP0.34
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-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 (2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid (CID 11885580) is (2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid is CS(=O)(=O)N1[C@@H](C(=O)O)CS[C@@H]1C(F)(F)F.
What is the InChIKey of (2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IMXFHEHNQDZTMR-NQXXGFSBSA-N. The full InChI is InChI=1S/C6H8F3NO4S2/c1-16(13,14)10-3(4(11)12)2-15-5(10)6(7,8)9/h3,5H,2H2,1H3,(H,11,12)/t3-,5-/m1/s1.
What are the key properties of (2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid?
(2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 279.26 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 11885580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).