methyl 3-(pyridin-2-ylmethylsulfamoyl)thiophene-2-carboxylate

C12H12N2O4S2 — CID 3256500

IUPACmethyl 3-(pyridin-2-ylmethylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C12H12N2O4S2/c1-18-12(15)11-10(5-7-19-11)20(16,17)14-8-9-4-2-3-6-13-9/h2-7,14H,8H2,1H3
InChIKeyDXJWSGLQNLVEQW-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.41
Rot. Bonds5

About methyl 3-(pyridin-2-ylmethylsulfamoyl)thiophene-2-carboxylate

methyl 3-(pyridin-2-ylmethylsulfamoyl)thiophene-2-carboxylate (PubChem CID 3256500) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 3-(pyridin-2-ylmethylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(pyridin-2-ylmethylsulfamoyl)thiophene-2-carboxylate
PubChem CID3256500
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Namemethyl 3-(pyridin-2-ylmethylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C12H12N2O4S2/c1-18-12(15)11-10(5-7-19-11)20(16,17)14-8-9-4-2-3-6-13-9/h2-7,14H,8H2,1H3
InChIKeyDXJWSGLQNLVEQW-UHFFFAOYSA-N
XLogP1.41
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(pyridin-2-ylmethylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(pyridin-2-ylmethylsulfamoyl)thiophene-2-carboxylate (CID 3256500) is methyl 3-(pyridin-2-ylmethylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(pyridin-2-ylmethylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(pyridin-2-ylmethylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCc1ccccn1.
What is the InChIKey of methyl 3-(pyridin-2-ylmethylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is DXJWSGLQNLVEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c1-18-12(15)11-10(5-7-19-11)20(16,17)14-8-9-4-2-3-6-13-9/h2-7,14H,8H2,1H3.
What are the key properties of methyl 3-(pyridin-2-ylmethylsulfamoyl)thiophene-2-carboxylate?
methyl 3-(pyridin-2-ylmethylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(pyridin-2-ylmethylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 3256500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).