methyl 4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]thiophene-2-carboxylate

C10H12N4O4S2 — CID 102749094

IUPACmethyl 4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)Nc1ncnn1C
InChIInChI=1S/C10H12N4O4S2/c1-6-4-19-7(9(15)18-3)8(6)20(16,17)13-10-11-5-12-14(10)2/h4-5H,1-3H3,(H,11,12,13)
InChIKeyIJTPDXFDJMMKAW-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.77
Rot. Bonds4

About methyl 4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]thiophene-2-carboxylate

methyl 4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 102749094) has the molecular formula C10H12N4O4S2 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]thiophene-2-carboxylate
PubChem CID102749094
Molecular FormulaC10H12N4O4S2
Molecular Weight316.36 g/mol
Exact Mass316.03
IUPAC Namemethyl 4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)Nc1ncnn1C
InChIInChI=1S/C10H12N4O4S2/c1-6-4-19-7(9(15)18-3)8(6)20(16,17)13-10-11-5-12-14(10)2/h4-5H,1-3H3,(H,11,12,13)
InChIKeyIJTPDXFDJMMKAW-UHFFFAOYSA-N
XLogP0.77
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]thiophene-2-carboxylate (CID 102749094) is methyl 4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)Nc1ncnn1C.
What is the InChIKey of methyl 4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is IJTPDXFDJMMKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4S2/c1-6-4-19-7(9(15)18-3)8(6)20(16,17)13-10-11-5-12-14(10)2/h4-5H,1-3H3,(H,11,12,13).
What are the key properties of methyl 4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]thiophene-2-carboxylate?
methyl 4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 102749094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).