methyl 3-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate

C11H15NO6S2 — CID 2808794

IUPACmethyl 3-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate
SMILESCCOC(=O)CN(C)S(=O)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C11H15NO6S2/c1-4-18-9(13)7-12(2)20(15,16)8-5-6-19-10(8)11(14)17-3/h5-6H,4,7H2,1-3H3
InChIKeyYZWHKLAAQYXJOH-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.72
Rot. Bonds6

About methyl 3-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate

methyl 3-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate (PubChem CID 2808794) has the molecular formula C11H15NO6S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is methyl 3-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate
PubChem CID2808794
Molecular FormulaC11H15NO6S2
Molecular Weight321.38 g/mol
Exact Mass321.03
IUPAC Namemethyl 3-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate
SMILESCCOC(=O)CN(C)S(=O)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C11H15NO6S2/c1-4-18-9(13)7-12(2)20(15,16)8-5-6-19-10(8)11(14)17-3/h5-6H,4,7H2,1-3H3
InChIKeyYZWHKLAAQYXJOH-UHFFFAOYSA-N
XLogP0.72
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate (CID 2808794) is methyl 3-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate is CCOC(=O)CN(C)S(=O)(=O)c1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is YZWHKLAAQYXJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S2/c1-4-18-9(13)7-12(2)20(15,16)8-5-6-19-10(8)11(14)17-3/h5-6H,4,7H2,1-3H3.
What are the key properties of methyl 3-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 0.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 2808794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).