methyl 3-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)sulfamoyl]thiophene-2-carboxylate

C9H10N4O5S2 — CID 19881683

IUPACmethyl 3-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nn1c(C)n[nH]c1=O
InChIInChI=1S/C9H10N4O5S2/c1-5-10-11-9(15)13(5)12-20(16,17)6-3-4-19-7(6)8(14)18-2/h3-4,12H,1-2H3,(H,11,15)
InChIKeyQTTBHWXYTOVQNT-UHFFFAOYSA-N
MW318.34 g/mol
LogP-0.34
Rot. Bonds4

About methyl 3-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 19881683) has the molecular formula C9H10N4O5S2 and a molecular weight of 318.34 g/mol. Its IUPAC name is methyl 3-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)sulfamoyl]thiophene-2-carboxylate
PubChem CID19881683
Molecular FormulaC9H10N4O5S2
Molecular Weight318.34 g/mol
Exact Mass318.01
IUPAC Namemethyl 3-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nn1c(C)n[nH]c1=O
InChIInChI=1S/C9H10N4O5S2/c1-5-10-11-9(15)13(5)12-20(16,17)6-3-4-19-7(6)8(14)18-2/h3-4,12H,1-2H3,(H,11,15)
InChIKeyQTTBHWXYTOVQNT-UHFFFAOYSA-N
XLogP-0.34
TPSA123.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
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methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
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methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate
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methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
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methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate
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methyl 3-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylate
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methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate
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methyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate
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methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
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methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride
CID 119961772

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)sulfamoyl]thiophene-2-carboxylate (CID 19881683) is methyl 3-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nn1c(C)n[nH]c1=O.
What is the InChIKey of methyl 3-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is QTTBHWXYTOVQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O5S2/c1-5-10-11-9(15)13(5)12-20(16,17)6-3-4-19-7(6)8(14)18-2/h3-4,12H,1-2H3,(H,11,15).
What are the key properties of methyl 3-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 318.34 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 19881683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).