3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid

C11H15NO6S3 — CID 43242228

IUPAC3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C11H15NO6S3/c1-2-12(8-4-6-20(15,16)7-8)21(17,18)9-3-5-19-10(9)11(13)14/h3,5,8H,2,4,6-7H2,1H3,(H,13,14)
InChIKeyVYTBGYGQJBKMEN-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.64
Rot. Bonds5

About 3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid

3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43242228) has the molecular formula C11H15NO6S3 and a molecular weight of 353.44 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID43242228
Molecular FormulaC11H15NO6S3
Molecular Weight353.44 g/mol
Exact Mass353.01
IUPAC Name3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C11H15NO6S3/c1-2-12(8-4-6-20(15,16)7-8)21(17,18)9-3-5-19-10(9)11(13)14/h3,5,8H,2,4,6-7H2,1H3,(H,13,14)
InChIKeyVYTBGYGQJBKMEN-UHFFFAOYSA-N
XLogP0.64
TPSA108.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dibromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylbenzenesulfonamide
CID 129366084
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide
CID 51169210
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
CID 94186742
4-amino-2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide
CID 61107982
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-sulfonamide
CID 60716041
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102860892
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 7260446
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
CID 18170868
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide
CID 42912908
3-[butyl-[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-4-methylbenzoic acid
CID 129360457
2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid
CID 61454198
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide
CID 94151657

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid (CID 43242228) is 3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid is CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is VYTBGYGQJBKMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S3/c1-2-12(8-4-6-20(15,16)7-8)21(17,18)9-3-5-19-10(9)11(13)14/h3,5,8H,2,4,6-7H2,1H3,(H,13,14).
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid?
3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 353.44 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43242228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).