methyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate

C9H11NO6S2 — CID 717593

IUPACmethyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)CNS(=O)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C9H11NO6S2/c1-15-7(11)5-10-18(13,14)6-3-4-17-8(6)9(12)16-2/h3-4,10H,5H2,1-2H3
InChIKeyKUTKKTKUSGIBPZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.01
Rot. Bonds5

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

methyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 717593) has the molecular formula C9H11NO6S2 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID717593
Molecular FormulaC9H11NO6S2
Molecular Weight293.32 g/mol
Exact Mass293.00
IUPAC Namemethyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)CNS(=O)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C9H11NO6S2/c1-15-7(11)5-10-18(13,14)6-3-4-17-8(6)9(12)16-2/h3-4,10H,5H2,1-2H3
InChIKeyKUTKKTKUSGIBPZ-UHFFFAOYSA-N
XLogP-0.01
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate (CID 717593) is methyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)CNS(=O)(=O)c1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is KUTKKTKUSGIBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO6S2/c1-15-7(11)5-10-18(13,14)6-3-4-17-8(6)9(12)16-2/h3-4,10H,5H2,1-2H3.
What are the key properties of methyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 717593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).