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

C8H12F3NO4S2 — CID 63779390

IUPAC2-propyl-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO4S2/c1-2-3-6-12(5(4-17-6)7(13)14)18(15,16)8(9,10)11/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyGDGMGFUPJKGFNU-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.46
Rot. Bonds4

About 2-propyl-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid

2-propyl-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63779390) has the molecular formula C8H12F3NO4S2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-propyl-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propyl-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63779390
Molecular FormulaC8H12F3NO4S2
Molecular Weight307.32 g/mol
Exact Mass307.02
IUPAC Name2-propyl-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO4S2/c1-2-3-6-12(5(4-17-6)7(13)14)18(15,16)8(9,10)11/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyGDGMGFUPJKGFNU-UHFFFAOYSA-N
XLogP1.46
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid
CID 114958890
3-prop-2-enylsulfonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 79673383
3-[methyl(propan-2-yl)sulfamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779570
3-(5-methylthiophen-2-yl)sulfonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780623
3-(1-methylpyrrol-3-yl)sulfonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780089
2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63781857
3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 103414252
3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63779729
3-(3-phenylmethoxypropylsulfonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 114286011
(2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid
CID 11885580
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790612

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-propyl-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63779390) is 2-propyl-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-propyl-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-propyl-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-propyl-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GDGMGFUPJKGFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO4S2/c1-2-3-6-12(5(4-17-6)7(13)14)18(15,16)8(9,10)11/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-propyl-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
2-propyl-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 307.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63779390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).