3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid

C9H15NO6S2 — CID 55235723

IUPAC3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCOC(=O)CS(=O)(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C9H15NO6S2/c1-3-16-8(11)5-18(14,15)10-6(2)17-4-7(10)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyIJNVOBCFBJFACV-UHFFFAOYSA-N
MW297.35 g/mol
LogP-0.27
Rot. Bonds5

About 3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55235723) has the molecular formula C9H15NO6S2 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID55235723
Molecular FormulaC9H15NO6S2
Molecular Weight297.35 g/mol
Exact Mass297.03
IUPAC Name3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCOC(=O)CS(=O)(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C9H15NO6S2/c1-3-16-8(11)5-18(14,15)10-6(2)17-4-7(10)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyIJNVOBCFBJFACV-UHFFFAOYSA-N
XLogP-0.27
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780421
3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779888
3-(dipropylsulfamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781485
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422077
(2R,4R)-1-(2-ethoxy-2-oxoethyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999845
3-(2-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779887
2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63781857
3-(2-bromo-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780948
2-methyl-3-(2,4,6-trifluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63781850
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779350
3-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781844
ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)sulfonylacetate
CID 106672320

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 55235723) is 3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is CCOC(=O)CS(=O)(=O)N1C(C)SCC1C(=O)O.
What is the InChIKey of 3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IJNVOBCFBJFACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6S2/c1-3-16-8(11)5-18(14,15)10-6(2)17-4-7(10)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55235723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).