methyl 3-(methylsulfamoyl)thiophene-2-carboxylate

C7H9NO4S2 — CID 12906749

IUPACmethyl 3-(methylsulfamoyl)thiophene-2-carboxylate
SMILESCNS(=O)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C7H9NO4S2/c1-8-14(10,11)5-3-4-13-6(5)7(9)12-2/h3-4,8H,1-2H3
InChIKeyGTRUHHWLEREHBP-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.44
Rot. Bonds3

About methyl 3-(methylsulfamoyl)thiophene-2-carboxylate

methyl 3-(methylsulfamoyl)thiophene-2-carboxylate (PubChem CID 12906749) has the molecular formula C7H9NO4S2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl 3-(methylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methylsulfamoyl)thiophene-2-carboxylate
PubChem CID12906749
Molecular FormulaC7H9NO4S2
Molecular Weight235.29 g/mol
Exact Mass235.00
IUPAC Namemethyl 3-(methylsulfamoyl)thiophene-2-carboxylate
SMILESCNS(=O)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C7H9NO4S2/c1-8-14(10,11)5-3-4-13-6(5)7(9)12-2/h3-4,8H,1-2H3
InChIKeyGTRUHHWLEREHBP-UHFFFAOYSA-N
XLogP0.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(methylsulfamoyl)thiophene-2-carboxylate (CID 12906749) is methyl 3-(methylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(methylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(methylsulfamoyl)thiophene-2-carboxylate is CNS(=O)(=O)c1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-(methylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is GTRUHHWLEREHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4S2/c1-8-14(10,11)5-3-4-13-6(5)7(9)12-2/h3-4,8H,1-2H3.
What are the key properties of methyl 3-(methylsulfamoyl)thiophene-2-carboxylate?
methyl 3-(methylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 12906749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).