3-methyl-3-sulfamoyl-2H-thiophene-2-carboxylic acid

C6H9NO4S2 — CID 70433872

IUPAC3-methyl-3-sulfamoyl-2H-thiophene-2-carboxylic acid
SMILESCC1(S(N)(=O)=O)C=CSC1C(=O)O
InChIInChI=1S/C6H9NO4S2/c1-6(13(7,10)11)2-3-12-4(6)5(8)9/h2-4H,1H3,(H,8,9)(H2,7,10,11)
InChIKeyZMCUTNYVBJTUFU-UHFFFAOYSA-N
MW223.27 g/mol
LogP-0.25
Rot. Bonds2

About 3-methyl-3-sulfamoyl-2H-thiophene-2-carboxylic acid

3-methyl-3-sulfamoyl-2H-thiophene-2-carboxylic acid (PubChem CID 70433872) has the molecular formula C6H9NO4S2 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-methyl-3-sulfamoyl-2H-thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-3-sulfamoyl-2H-thiophene-2-carboxylic acid
PubChem CID70433872
Molecular FormulaC6H9NO4S2
Molecular Weight223.27 g/mol
Exact Mass223.00
IUPAC Name3-methyl-3-sulfamoyl-2H-thiophene-2-carboxylic acid
SMILESCC1(S(N)(=O)=O)C=CSC1C(=O)O
InChIInChI=1S/C6H9NO4S2/c1-6(13(7,10)11)2-3-12-4(6)5(8)9/h2-4H,1H3,(H,8,9)(H2,7,10,11)
InChIKeyZMCUTNYVBJTUFU-UHFFFAOYSA-N
XLogP-0.25
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-sulfamoyl-2H-thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-3-sulfamoyl-2H-thiophene-2-carboxylic acid (CID 70433872) is 3-methyl-3-sulfamoyl-2H-thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-3-sulfamoyl-2H-thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-3-sulfamoyl-2H-thiophene-2-carboxylic acid is CC1(S(N)(=O)=O)C=CSC1C(=O)O.
What is the InChIKey of 3-methyl-3-sulfamoyl-2H-thiophene-2-carboxylic acid?
The InChIKey is ZMCUTNYVBJTUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4S2/c1-6(13(7,10)11)2-3-12-4(6)5(8)9/h2-4H,1H3,(H,8,9)(H2,7,10,11).
What are the key properties of 3-methyl-3-sulfamoyl-2H-thiophene-2-carboxylic acid?
3-methyl-3-sulfamoyl-2H-thiophene-2-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-sulfamoyl-2H-thiophene-2-carboxylic acid is sourced from PubChem (CID 70433872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).