methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate

C7H9NO4S2 — CID 11299311

IUPACmethyl 5-methyl-4-sulfamoylthiophene-3-carboxylate
SMILESCOC(=O)c1csc(C)c1S(N)(=O)=O
InChIInChI=1S/C7H9NO4S2/c1-4-6(14(8,10)11)5(3-13-4)7(9)12-2/h3H,1-2H3,(H2,8,10,11)
InChIKeyHZYUFKOKLHCVKN-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.49
Rot. Bonds2

About methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate

methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate (PubChem CID 11299311) has the molecular formula C7H9NO4S2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-sulfamoylthiophene-3-carboxylate
PubChem CID11299311
Molecular FormulaC7H9NO4S2
Molecular Weight235.29 g/mol
Exact Mass235.00
IUPAC Namemethyl 5-methyl-4-sulfamoylthiophene-3-carboxylate
SMILESCOC(=O)c1csc(C)c1S(N)(=O)=O
InChIInChI=1S/C7H9NO4S2/c1-4-6(14(8,10)11)5(3-13-4)7(9)12-2/h3H,1-2H3,(H2,8,10,11)
InChIKeyHZYUFKOKLHCVKN-UHFFFAOYSA-N
XLogP0.49
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate?
The IUPAC name of methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate (CID 11299311) is methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate is COC(=O)c1csc(C)c1S(N)(=O)=O.
What is the InChIKey of methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate?
The InChIKey is HZYUFKOKLHCVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4S2/c1-4-6(14(8,10)11)5(3-13-4)7(9)12-2/h3H,1-2H3,(H2,8,10,11).
What are the key properties of methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate?
methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 11299311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).