ethyl N-tert-butyl-N-sulfamoylcarbamate

C7H16N2O4S — CID 174810052

IUPACethyl N-tert-butyl-N-sulfamoylcarbamate
SMILESCCOC(=O)N(C(C)(C)C)S(N)(=O)=O
InChIInChI=1S/C7H16N2O4S/c1-5-13-6(10)9(7(2,3)4)14(8,11)12/h5H2,1-4H3,(H2,8,11,12)
InChIKeyUMXRLNBYFHFGFL-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.45
Rot. Bonds2

About ethyl N-tert-butyl-N-sulfamoylcarbamate

ethyl N-tert-butyl-N-sulfamoylcarbamate (PubChem CID 174810052) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is ethyl N-tert-butyl-N-sulfamoylcarbamate.

Molecular Properties

Compound Nameethyl N-tert-butyl-N-sulfamoylcarbamate
PubChem CID174810052
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Nameethyl N-tert-butyl-N-sulfamoylcarbamate
SMILESCCOC(=O)N(C(C)(C)C)S(N)(=O)=O
InChIInChI=1S/C7H16N2O4S/c1-5-13-6(10)9(7(2,3)4)14(8,11)12/h5H2,1-4H3,(H2,8,11,12)
InChIKeyUMXRLNBYFHFGFL-UHFFFAOYSA-N
XLogP0.45
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-tert-butyl-N-sulfamoylcarbamate?
The IUPAC name of ethyl N-tert-butyl-N-sulfamoylcarbamate (CID 174810052) is ethyl N-tert-butyl-N-sulfamoylcarbamate.
What is the SMILES notation for ethyl N-tert-butyl-N-sulfamoylcarbamate?
The canonical SMILES for ethyl N-tert-butyl-N-sulfamoylcarbamate is CCOC(=O)N(C(C)(C)C)S(N)(=O)=O.
What is the InChIKey of ethyl N-tert-butyl-N-sulfamoylcarbamate?
The InChIKey is UMXRLNBYFHFGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-5-13-6(10)9(7(2,3)4)14(8,11)12/h5H2,1-4H3,(H2,8,11,12).
What are the key properties of ethyl N-tert-butyl-N-sulfamoylcarbamate?
ethyl N-tert-butyl-N-sulfamoylcarbamate has a molecular weight of 224.28 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-tert-butyl-N-sulfamoylcarbamate is sourced from PubChem (CID 174810052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).