methyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate

C13H15N3O4S2 — CID 3821881

IUPACmethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1cc(C2CC2)nn1C
InChIInChI=1S/C13H15N3O4S2/c1-16-11(7-9(14-16)8-3-4-8)15-22(18,19)10-5-6-21-12(10)13(17)20-2/h5-8,15H,3-4H2,1-2H3
InChIKeyNRMUWZIQEHGPQD-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.95
Rot. Bonds5

About methyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 3821881) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate
PubChem CID3821881
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC Namemethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1cc(C2CC2)nn1C
InChIInChI=1S/C13H15N3O4S2/c1-16-11(7-9(14-16)8-3-4-8)15-22(18,19)10-5-6-21-12(10)13(17)20-2/h5-8,15H,3-4H2,1-2H3
InChIKeyNRMUWZIQEHGPQD-UHFFFAOYSA-N
XLogP1.95
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate (CID 3821881) is methyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1cc(C2CC2)nn1C.
What is the InChIKey of methyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is NRMUWZIQEHGPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S2/c1-16-11(7-9(14-16)8-3-4-8)15-22(18,19)10-5-6-21-12(10)13(17)20-2/h5-8,15H,3-4H2,1-2H3.
What are the key properties of methyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 3821881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).