2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid

C8H15NO4S2 — CID 63781857

IUPAC2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1S(=O)(=O)CC
InChIInChI=1S/C8H15NO4S2/c1-3-7-9(15(12,13)4-2)6(5-14-7)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyOWNADKWHMGCQKO-UHFFFAOYSA-N
MW253.34 g/mol
LogP0.57
Rot. Bonds4

About 2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781857) has the molecular formula C8H15NO4S2 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781857
Molecular FormulaC8H15NO4S2
Molecular Weight253.34 g/mol
Exact Mass253.04
IUPAC Name2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1S(=O)(=O)CC
InChIInChI=1S/C8H15NO4S2/c1-3-7-9(15(12,13)4-2)6(5-14-7)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyOWNADKWHMGCQKO-UHFFFAOYSA-N
XLogP0.57
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63779729
3-ethylsulfonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63779402
2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 114814607
3-prop-2-enylsulfonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 79673383
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-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779369
3-(1,2-dimethylimidazol-4-yl)sulfonyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63780972
2-ethyl-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63780260
3-(5-bromo-2-methylphenyl)sulfonyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63779901
3-[methyl(propan-2-yl)sulfamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779570
2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792402

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 63781857) is 2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1S(=O)(=O)CC.
What is the InChIKey of 2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OWNADKWHMGCQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S2/c1-3-7-9(15(12,13)4-2)6(5-14-7)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).