methyl 3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methylsulfamoyl]thiophene-2-carboxylate

C15H19N3O4S2 — CID 71808356

IUPACmethyl 3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1nn(C)c2c1CCCC2
InChIInChI=1S/C15H19N3O4S2/c1-18-12-6-4-3-5-10(12)11(17-18)9-16-24(20,21)13-7-8-23-14(13)15(19)22-2/h7-8,16H,3-6,9H2,1-2H3
InChIKeySGLLRFULDFCSDF-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.63
Rot. Bonds5

About methyl 3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methylsulfamoyl]thiophene-2-carboxylate

methyl 3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methylsulfamoyl]thiophene-2-carboxylate (PubChem CID 71808356) has the molecular formula C15H19N3O4S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is methyl 3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methylsulfamoyl]thiophene-2-carboxylate
PubChem CID71808356
Molecular FormulaC15H19N3O4S2
Molecular Weight369.47 g/mol
Exact Mass369.08
IUPAC Namemethyl 3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1nn(C)c2c1CCCC2
InChIInChI=1S/C15H19N3O4S2/c1-18-12-6-4-3-5-10(12)11(17-18)9-16-24(20,21)13-7-8-23-14(13)15(19)22-2/h7-8,16H,3-6,9H2,1-2H3
InChIKeySGLLRFULDFCSDF-UHFFFAOYSA-N
XLogP1.63
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methylsulfamoyl]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methylsulfamoyl]thiophene-2-carboxylate (CID 71808356) is methyl 3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCc1nn(C)c2c1CCCC2.
What is the InChIKey of methyl 3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is SGLLRFULDFCSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S2/c1-18-12-6-4-3-5-10(12)11(17-18)9-16-24(20,21)13-7-8-23-14(13)15(19)22-2/h7-8,16H,3-6,9H2,1-2H3.
What are the key properties of methyl 3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 369.47 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 71808356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).