3-(methylsulfamoyl)thiophene-2-carboxylic acid

C6H7NO4S2 — CID 16639914

IUPAC3-(methylsulfamoyl)thiophene-2-carboxylic acid
SMILESCNS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C6H7NO4S2/c1-7-13(10,11)4-2-3-12-5(4)6(8)9/h2-3,7H,1H3,(H,8,9)
InChIKeyNVUNRWVGRDVKGV-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.35
Rot. Bonds3

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

3-(methylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 16639914) has the molecular formula C6H7NO4S2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(methylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(methylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID16639914
Molecular FormulaC6H7NO4S2
Molecular Weight221.26 g/mol
Exact Mass220.98
IUPAC Name3-(methylsulfamoyl)thiophene-2-carboxylic acid
SMILESCNS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C6H7NO4S2/c1-7-13(10,11)4-2-3-12-5(4)6(8)9/h2-3,7H,1H3,(H,8,9)
InChIKeyNVUNRWVGRDVKGV-UHFFFAOYSA-N
XLogP0.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 16227156
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CID 769986
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CID 12906749
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CID 341066
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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(methylsulfamoyl)thiophene-2-carboxylic acid (CID 16639914) is 3-(methylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(methylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(methylsulfamoyl)thiophene-2-carboxylic acid is CNS(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-(methylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is NVUNRWVGRDVKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4S2/c1-7-13(10,11)4-2-3-12-5(4)6(8)9/h2-3,7H,1H3,(H,8,9).
What are the key properties of 3-(methylsulfamoyl)thiophene-2-carboxylic acid?
3-(methylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 16639914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).