ethyl 5-(methylsulfamoyl)furan-3-carboxylate

C8H11NO5S — CID 162420969

IUPACethyl 5-(methylsulfamoyl)furan-3-carboxylate
SMILESCCOC(=O)c1coc(S(=O)(=O)NC)c1
InChIInChI=1S/C8H11NO5S/c1-3-13-8(10)6-4-7(14-5-6)15(11,12)9-2/h4-5,9H,3H2,1-2H3
InChIKeyRJYGJYDIDANKBN-UHFFFAOYSA-N
MW233.24 g/mol
LogP0.36
Rot. Bonds4

About ethyl 5-(methylsulfamoyl)furan-3-carboxylate

ethyl 5-(methylsulfamoyl)furan-3-carboxylate (PubChem CID 162420969) has the molecular formula C8H11NO5S and a molecular weight of 233.24 g/mol. Its IUPAC name is ethyl 5-(methylsulfamoyl)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(methylsulfamoyl)furan-3-carboxylate
PubChem CID162420969
Molecular FormulaC8H11NO5S
Molecular Weight233.24 g/mol
Exact Mass233.04
IUPAC Nameethyl 5-(methylsulfamoyl)furan-3-carboxylate
SMILESCCOC(=O)c1coc(S(=O)(=O)NC)c1
InChIInChI=1S/C8H11NO5S/c1-3-13-8(10)6-4-7(14-5-6)15(11,12)9-2/h4-5,9H,3H2,1-2H3
InChIKeyRJYGJYDIDANKBN-UHFFFAOYSA-N
XLogP0.36
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(methylsulfamoyl)furan-3-carboxylate?
The IUPAC name of ethyl 5-(methylsulfamoyl)furan-3-carboxylate (CID 162420969) is ethyl 5-(methylsulfamoyl)furan-3-carboxylate.
What is the SMILES notation for ethyl 5-(methylsulfamoyl)furan-3-carboxylate?
The canonical SMILES for ethyl 5-(methylsulfamoyl)furan-3-carboxylate is CCOC(=O)c1coc(S(=O)(=O)NC)c1.
What is the InChIKey of ethyl 5-(methylsulfamoyl)furan-3-carboxylate?
The InChIKey is RJYGJYDIDANKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5S/c1-3-13-8(10)6-4-7(14-5-6)15(11,12)9-2/h4-5,9H,3H2,1-2H3.
What are the key properties of ethyl 5-(methylsulfamoyl)furan-3-carboxylate?
ethyl 5-(methylsulfamoyl)furan-3-carboxylate has a molecular weight of 233.24 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(methylsulfamoyl)furan-3-carboxylate is sourced from PubChem (CID 162420969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).