3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid

C7H10N2O4S2 — CID 83004979

IUPAC3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid
SMILESCN(C)NS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C7H10N2O4S2/c1-9(2)8-15(12,13)5-3-4-14-6(5)7(10)11/h3-4,8H,1-2H3,(H,10,11)
InChIKeyADNHOWFRDRAREZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.20
Rot. Bonds4

About 3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid

3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid (PubChem CID 83004979) has the molecular formula C7H10N2O4S2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid
PubChem CID83004979
Molecular FormulaC7H10N2O4S2
Molecular Weight250.30 g/mol
Exact Mass250.01
IUPAC Name3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid
SMILESCN(C)NS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C7H10N2O4S2/c1-9(2)8-15(12,13)5-3-4-14-6(5)7(10)11/h3-4,8H,1-2H3,(H,10,11)
InChIKeyADNHOWFRDRAREZ-UHFFFAOYSA-N
XLogP0.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61167041
3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid
CID 82720672
3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235697
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid
CID 79090175
3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 51681297
3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 79042040
3-sulfothiophene-2-carboxylic acid;hydrochloride
CID 174927942
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 19029493
3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid
CID 23312626
3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43235766

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid (CID 83004979) is 3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid is CN(C)NS(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is ADNHOWFRDRAREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S2/c1-9(2)8-15(12,13)5-3-4-14-6(5)7(10)11/h3-4,8H,1-2H3,(H,10,11).
What are the key properties of 3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid?
3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83004979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).