ethyl N-(ethoxycarbonylsulfamoyl)carbamate

C6H12N2O6S — CID 71444684

IUPACethyl N-(ethoxycarbonylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)NC(=O)OCC
InChIInChI=1S/C6H12N2O6S/c1-3-13-5(9)7-15(11,12)8-6(10)14-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyDBNWERCTIICGMX-UHFFFAOYSA-N
MW240.24 g/mol
LogP-0.28
Rot. Bonds4

About ethyl N-(ethoxycarbonylsulfamoyl)carbamate

ethyl N-(ethoxycarbonylsulfamoyl)carbamate (PubChem CID 71444684) has the molecular formula C6H12N2O6S and a molecular weight of 240.24 g/mol. Its IUPAC name is ethyl N-(ethoxycarbonylsulfamoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(ethoxycarbonylsulfamoyl)carbamate
PubChem CID71444684
Molecular FormulaC6H12N2O6S
Molecular Weight240.24 g/mol
Exact Mass240.04
IUPAC Nameethyl N-(ethoxycarbonylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)NC(=O)OCC
InChIInChI=1S/C6H12N2O6S/c1-3-13-5(9)7-15(11,12)8-6(10)14-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyDBNWERCTIICGMX-UHFFFAOYSA-N
XLogP-0.28
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(ethoxycarbonylsulfamoyl)carbamate?
The IUPAC name of ethyl N-(ethoxycarbonylsulfamoyl)carbamate (CID 71444684) is ethyl N-(ethoxycarbonylsulfamoyl)carbamate.
What is the SMILES notation for ethyl N-(ethoxycarbonylsulfamoyl)carbamate?
The canonical SMILES for ethyl N-(ethoxycarbonylsulfamoyl)carbamate is CCOC(=O)NS(=O)(=O)NC(=O)OCC.
What is the InChIKey of ethyl N-(ethoxycarbonylsulfamoyl)carbamate?
The InChIKey is DBNWERCTIICGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O6S/c1-3-13-5(9)7-15(11,12)8-6(10)14-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10).
What are the key properties of ethyl N-(ethoxycarbonylsulfamoyl)carbamate?
ethyl N-(ethoxycarbonylsulfamoyl)carbamate has a molecular weight of 240.24 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(ethoxycarbonylsulfamoyl)carbamate is sourced from PubChem (CID 71444684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).