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

C6H11NO4S2 — CID 24703125

IUPAC3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCS(=O)(=O)N1CSCC1C(=O)O
InChIInChI=1S/C6H11NO4S2/c1-2-13(10,11)7-4-12-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKeyKKHWQJHNSYQPQZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.20
Rot. Bonds3

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

3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 24703125) has the molecular formula C6H11NO4S2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID24703125
Molecular FormulaC6H11NO4S2
Molecular Weight225.29 g/mol
Exact Mass225.01
IUPAC Name3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCS(=O)(=O)N1CSCC1C(=O)O
InChIInChI=1S/C6H11NO4S2/c1-2-13(10,11)7-4-12-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKeyKKHWQJHNSYQPQZ-UHFFFAOYSA-N
XLogP-0.20
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 54951256
(4R)-3-pyrrolidin-1-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 28784467
3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43172894
(4R)-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61141627
3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61455654
(4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28784491
(4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61142378
3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359164
(4R)-3-(cyclopropylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104937084
(4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 53211332
3-[(2-nitrophenyl)methylsulfonyl]-1,3-thiazolidine-4-carboxylic acid
CID 62021637
3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43172981

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 24703125) is 3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid is CCS(=O)(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KKHWQJHNSYQPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S2/c1-2-13(10,11)7-4-12-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of 3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid?
3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 24703125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).