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

C6H9F2NO4S2 — CID 63781667

IUPAC3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1S(=O)(=O)C(F)F
InChIInChI=1S/C6H9F2NO4S2/c1-3-9(15(12,13)6(7)8)4(2-14-3)5(10)11/h3-4,6H,2H2,1H3,(H,10,11)
InChIKeyQVUYXOSLKUEBPO-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.39
Rot. Bonds3

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

3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781667) has the molecular formula C6H9F2NO4S2 and a molecular weight of 261.27 g/mol. Its IUPAC name is 3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781667
Molecular FormulaC6H9F2NO4S2
Molecular Weight261.27 g/mol
Exact Mass260.99
IUPAC Name3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1S(=O)(=O)C(F)F
InChIInChI=1S/C6H9F2NO4S2/c1-3-9(15(12,13)6(7)8)4(2-14-3)5(10)11/h3-4,6H,2H2,1H3,(H,10,11)
InChIKeyQVUYXOSLKUEBPO-UHFFFAOYSA-N
XLogP0.39
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780281
3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63779729
2-methyl-3-(2,4,6-trifluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63781850
3-(dipropylsulfamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781485
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779350
2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63780064
3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780421
3-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 103298803
3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779888
3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 55235723
3-(2-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63782024
2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 55235914

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63781667) is 3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1S(=O)(=O)C(F)F.
What is the InChIKey of 3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QVUYXOSLKUEBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO4S2/c1-3-9(15(12,13)6(7)8)4(2-14-3)5(10)11/h3-4,6H,2H2,1H3,(H,10,11).
What are the key properties of 3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 261.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).