3-[5-(dimethylsulfamoyl)furan-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid

C11H14N2O6S2 — CID 43359317

IUPAC3-[5-(dimethylsulfamoyl)furan-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CSCC2C(=O)O)o1
InChIInChI=1S/C11H14N2O6S2/c1-12(2)21(17,18)9-4-3-8(19-9)10(14)13-6-20-5-7(13)11(15)16/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeyOMGGLGSOCCWYEG-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.13
Rot. Bonds4

About 3-[5-(dimethylsulfamoyl)furan-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid

3-[5-(dimethylsulfamoyl)furan-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43359317) has the molecular formula C11H14N2O6S2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-[5-(dimethylsulfamoyl)furan-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[5-(dimethylsulfamoyl)furan-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID43359317
Molecular FormulaC11H14N2O6S2
Molecular Weight334.38 g/mol
Exact Mass334.03
IUPAC Name3-[5-(dimethylsulfamoyl)furan-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CSCC2C(=O)O)o1
InChIInChI=1S/C11H14N2O6S2/c1-12(2)21(17,18)9-4-3-8(19-9)10(14)13-6-20-5-7(13)11(15)16/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeyOMGGLGSOCCWYEG-UHFFFAOYSA-N
XLogP0.13
TPSA108.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-2-carboxylic acid
CID 119175911
(3S)-1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 119113532
(4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95174309
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-[(4-chlorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61415002
(4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61389230
(4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144010
3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24692471
3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43664825
3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24711279
5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N,N-dimethylfuran-2-sulfonamide
CID 120815864
3-(4-oxochromene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43095251

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylsulfamoyl)furan-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[5-(dimethylsulfamoyl)furan-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid (CID 43359317) is 3-[5-(dimethylsulfamoyl)furan-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[5-(dimethylsulfamoyl)furan-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[5-(dimethylsulfamoyl)furan-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid is CN(C)S(=O)(=O)c1ccc(C(=O)N2CSCC2C(=O)O)o1.
What is the InChIKey of 3-[5-(dimethylsulfamoyl)furan-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OMGGLGSOCCWYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S2/c1-12(2)21(17,18)9-4-3-8(19-9)10(14)13-6-20-5-7(13)11(15)16/h3-4,7H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 3-[5-(dimethylsulfamoyl)furan-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
3-[5-(dimethylsulfamoyl)furan-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 334.38 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylsulfamoyl)furan-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43359317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).