5-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-3-carboxylic acid

C7H8N2O6S2 — CID 112672367

IUPAC5-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-3-carboxylic acid
SMILESNC(=O)CONS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C7H8N2O6S2/c8-5(10)2-15-9-17(13,14)6-1-4(3-16-6)7(11)12/h1,3,9H,2H2,(H2,8,10)(H,11,12)
InChIKeyZVFJFGBOVGZUIW-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.86
Rot. Bonds6

About 5-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-3-carboxylic acid

5-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 112672367) has the molecular formula C7H8N2O6S2 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID112672367
Molecular FormulaC7H8N2O6S2
Molecular Weight280.28 g/mol
Exact Mass279.98
IUPAC Name5-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-3-carboxylic acid
SMILESNC(=O)CONS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C7H8N2O6S2/c8-5(10)2-15-9-17(13,14)6-1-4(3-16-6)7(11)12/h1,3,9H,2H2,(H2,8,10)(H,11,12)
InChIKeyZVFJFGBOVGZUIW-UHFFFAOYSA-N
XLogP-0.86
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
5-(2-aminoethylsulfamoyl)thiophene-3-carboxylic acid
CID 61402682
5-(cyclopentyloxysulfamoyl)thiophene-3-carboxylic acid
CID 83228409
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]oxyacetamide
CID 112673433
5-(dimethylaminosulfamoyl)thiophene-3-carboxylic acid
CID 83005192
5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid
CID 43091190
5-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]thiophene-3-carboxylic acid
CID 43612176
5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-3-carboxylic acid
CID 28556428
4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 112672388
5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43241380
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43214885
5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid
CID 43498976

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-3-carboxylic acid (CID 112672367) is 5-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-3-carboxylic acid is NC(=O)CONS(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is ZVFJFGBOVGZUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O6S2/c8-5(10)2-15-9-17(13,14)6-1-4(3-16-6)7(11)12/h1,3,9H,2H2,(H2,8,10)(H,11,12).
What are the key properties of 5-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-3-carboxylic acid?
5-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of -0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 112672367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).