propan-2-yl N-sulfamoylcarbamate

C4H10N2O4S — CID 11159683

IUPACpropan-2-yl N-sulfamoylcarbamate
SMILESCC(C)OC(=O)NS(N)(=O)=O
InChIInChI=1S/C4H10N2O4S/c1-3(2)10-4(7)6-11(5,8)9/h3H,1-2H3,(H,6,7)(H2,5,8,9)
InChIKeyCAJYFXZTNVODDF-UHFFFAOYSA-N
MW182.20 g/mol
LogP-0.68
Rot. Bonds2

About propan-2-yl N-sulfamoylcarbamate

propan-2-yl N-sulfamoylcarbamate (PubChem CID 11159683) has the molecular formula C4H10N2O4S and a molecular weight of 182.20 g/mol. Its IUPAC name is propan-2-yl N-sulfamoylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-sulfamoylcarbamate
PubChem CID11159683
Molecular FormulaC4H10N2O4S
Molecular Weight182.20 g/mol
Exact Mass182.04
IUPAC Namepropan-2-yl N-sulfamoylcarbamate
SMILESCC(C)OC(=O)NS(N)(=O)=O
InChIInChI=1S/C4H10N2O4S/c1-3(2)10-4(7)6-11(5,8)9/h3H,1-2H3,(H,6,7)(H2,5,8,9)
InChIKeyCAJYFXZTNVODDF-UHFFFAOYSA-N
XLogP-0.68
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-sulfamoylcarbamate?
The IUPAC name of propan-2-yl N-sulfamoylcarbamate (CID 11159683) is propan-2-yl N-sulfamoylcarbamate.
What is the SMILES notation for propan-2-yl N-sulfamoylcarbamate?
The canonical SMILES for propan-2-yl N-sulfamoylcarbamate is CC(C)OC(=O)NS(N)(=O)=O.
What is the InChIKey of propan-2-yl N-sulfamoylcarbamate?
The InChIKey is CAJYFXZTNVODDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O4S/c1-3(2)10-4(7)6-11(5,8)9/h3H,1-2H3,(H,6,7)(H2,5,8,9).
What are the key properties of propan-2-yl N-sulfamoylcarbamate?
propan-2-yl N-sulfamoylcarbamate has a molecular weight of 182.20 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-sulfamoylcarbamate is sourced from PubChem (CID 11159683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).