ethyl N-(1-methylimidazol-4-yl)sulfonylcarbamate

C7H11N3O4S — CID 141079863

IUPACethyl N-(1-methylimidazol-4-yl)sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C7H11N3O4S/c1-3-14-7(11)9-15(12,13)6-4-10(2)5-8-6/h4-5H,3H2,1-2H3,(H,9,11)
InChIKeyVGBMKMNPJUGXMY-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.15
Rot. Bonds3

About ethyl N-(1-methylimidazol-4-yl)sulfonylcarbamate

ethyl N-(1-methylimidazol-4-yl)sulfonylcarbamate (PubChem CID 141079863) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is ethyl N-(1-methylimidazol-4-yl)sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-(1-methylimidazol-4-yl)sulfonylcarbamate
PubChem CID141079863
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Nameethyl N-(1-methylimidazol-4-yl)sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C7H11N3O4S/c1-3-14-7(11)9-15(12,13)6-4-10(2)5-8-6/h4-5H,3H2,1-2H3,(H,9,11)
InChIKeyVGBMKMNPJUGXMY-UHFFFAOYSA-N
XLogP-0.15
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-methylimidazol-4-yl)sulfonylcarbamate?
The IUPAC name of ethyl N-(1-methylimidazol-4-yl)sulfonylcarbamate (CID 141079863) is ethyl N-(1-methylimidazol-4-yl)sulfonylcarbamate.
What is the SMILES notation for ethyl N-(1-methylimidazol-4-yl)sulfonylcarbamate?
The canonical SMILES for ethyl N-(1-methylimidazol-4-yl)sulfonylcarbamate is CCOC(=O)NS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of ethyl N-(1-methylimidazol-4-yl)sulfonylcarbamate?
The InChIKey is VGBMKMNPJUGXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-3-14-7(11)9-15(12,13)6-4-10(2)5-8-6/h4-5H,3H2,1-2H3,(H,9,11).
What are the key properties of ethyl N-(1-methylimidazol-4-yl)sulfonylcarbamate?
ethyl N-(1-methylimidazol-4-yl)sulfonylcarbamate has a molecular weight of 233.25 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-methylimidazol-4-yl)sulfonylcarbamate is sourced from PubChem (CID 141079863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).