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

C8H13F2NO4S2 — CID 63780281

IUPAC3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1S(=O)(=O)C(F)F
InChIInChI=1S/C8H13F2NO4S2/c1-4(2)6-11(17(14,15)8(9)10)5(3-16-6)7(12)13/h4-6,8H,3H2,1-2H3,(H,12,13)
InChIKeyGHIZFGGTVHATRU-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.02
Rot. Bonds4

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

3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780281) has the molecular formula C8H13F2NO4S2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780281
Molecular FormulaC8H13F2NO4S2
Molecular Weight289.33 g/mol
Exact Mass289.03
IUPAC Name3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1S(=O)(=O)C(F)F
InChIInChI=1S/C8H13F2NO4S2/c1-4(2)6-11(17(14,15)8(9)10)5(3-16-6)7(12)13/h4-6,8H,3H2,1-2H3,(H,12,13)
InChIKeyGHIZFGGTVHATRU-UHFFFAOYSA-N
XLogP1.02
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781667
3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63779402
3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63779729
2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 114806191
3-(3-methylphenyl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780634
2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235148
3-[(5-bromo-3-pyridinyl)sulfonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780108
3-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 80577354
3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
2-propan-2-yl-3-[propan-2-yl(propyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781596
3-[2-(2-hydroxyphenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 80721584
(2R,4S)-3-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid
CID 11885580

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 63780281) is 3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CC(C)C1SCC(C(=O)O)N1S(=O)(=O)C(F)F.
What is the InChIKey of 3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GHIZFGGTVHATRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO4S2/c1-4(2)6-11(17(14,15)8(9)10)5(3-16-6)7(12)13/h4-6,8H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).