methyl 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylate

C10H12N2O4S2 — CID 23934992

IUPACmethyl 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(C)CCC#N
InChIInChI=1S/C10H12N2O4S2/c1-12(6-3-5-11)18(14,15)8-4-7-17-9(8)10(13)16-2/h4,7H,3,6H2,1-2H3
InChIKeySCFQJJAQNSUFLQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.07
Rot. Bonds5

About methyl 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 23934992) has the molecular formula C10H12N2O4S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID23934992
Molecular FormulaC10H12N2O4S2
Molecular Weight288.35 g/mol
Exact Mass288.02
IUPAC Namemethyl 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(C)CCC#N
InChIInChI=1S/C10H12N2O4S2/c1-12(6-3-5-11)18(14,15)8-4-7-17-9(8)10(13)16-2/h4,7H,3,6H2,1-2H3
InChIKeySCFQJJAQNSUFLQ-UHFFFAOYSA-N
XLogP1.07
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylate (CID 23934992) is methyl 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N(C)CCC#N.
What is the InChIKey of methyl 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is SCFQJJAQNSUFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S2/c1-12(6-3-5-11)18(14,15)8-4-7-17-9(8)10(13)16-2/h4,7H,3,6H2,1-2H3.
What are the key properties of methyl 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 23934992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).