3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid

C7H11F2NO4S2 — CID 63779729

IUPAC3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1S(=O)(=O)C(F)F
InChIInChI=1S/C7H11F2NO4S2/c1-2-5-10(16(13,14)7(8)9)4(3-15-5)6(11)12/h4-5,7H,2-3H2,1H3,(H,11,12)
InChIKeyUSLGGAPTBXVWPK-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.78
Rot. Bonds4

About 3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid

3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63779729) has the molecular formula C7H11F2NO4S2 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63779729
Molecular FormulaC7H11F2NO4S2
Molecular Weight275.30 g/mol
Exact Mass275.01
IUPAC Name3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1S(=O)(=O)C(F)F
InChIInChI=1S/C7H11F2NO4S2/c1-2-5-10(16(13,14)7(8)9)4(3-15-5)6(11)12/h4-5,7H,2-3H2,1H3,(H,11,12)
InChIKeyUSLGGAPTBXVWPK-UHFFFAOYSA-N
XLogP0.78
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63781857
3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781667
3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780281
2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid
CID 114958890
2-propyl-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779390
2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 114814607
3-(1,2-dimethylimidazol-4-yl)sulfonyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63780972
2-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779369
2-ethyl-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63780260
3-[methyl(propan-2-yl)sulfamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779570
3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63779402
3-(5-bromo-2-methylphenyl)sulfonyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63779901

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid (CID 63779729) is 3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1S(=O)(=O)C(F)F.
What is the InChIKey of 3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is USLGGAPTBXVWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO4S2/c1-2-5-10(16(13,14)7(8)9)4(3-15-5)6(11)12/h4-5,7H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63779729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).