3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid

C5H6F3NO4S2 — CID 43172894

IUPAC3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO4S2/c6-5(7,8)15(12,13)9-2-14-1-3(9)4(10)11/h3H,1-2H2,(H,10,11)
InChIKeyDAXOQXXKJKXHEM-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.30
Rot. Bonds2

About 3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid

3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43172894) has the molecular formula C5H6F3NO4S2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43172894
Molecular FormulaC5H6F3NO4S2
Molecular Weight265.23 g/mol
Exact Mass264.97
IUPAC Name3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO4S2/c6-5(7,8)15(12,13)9-2-14-1-3(9)4(10)11/h3H,1-2H2,(H,10,11)
InChIKeyDAXOQXXKJKXHEM-UHFFFAOYSA-N
XLogP0.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61141627
3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 24703125
(4R)-3-(cyclopropylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104937084
(4R)-3-pyrrolidin-1-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 28784467
(4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61142378
(4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28784491
3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61455654
(2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid
CID 66262970
3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43172981
3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 24705125
(4R)-3-(2-chloro-2,2-difluoroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 53215684
(4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 54951256

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid (CID 43172894) is 3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DAXOQXXKJKXHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO4S2/c6-5(7,8)15(12,13)9-2-14-1-3(9)4(10)11/h3H,1-2H2,(H,10,11).
What are the key properties of 3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 265.23 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43172894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).