sulfamoyl sulfamate

H4N2O5S2 — CID 22496615

IUPACsulfamoyl sulfamate
SMILESNS(=O)(=O)OS(N)(=O)=O
InChIInChI=1S/H4N2O5S2/c1-8(3,4)7-9(2,5)6/h(H2,1,3,4)(H2,2,5,6)
InChIKeyVJLYUPQRMYUUNS-UHFFFAOYSA-N
MW176.17 g/mol
LogP-2.59
Rot. Bonds2

About sulfamoyl sulfamate

sulfamoyl sulfamate (PubChem CID 22496615) has the molecular formula H4N2O5S2 and a molecular weight of 176.17 g/mol. Its IUPAC name is sulfamoyl sulfamate.

Molecular Properties

Compound Namesulfamoyl sulfamate
PubChem CID22496615
Molecular FormulaH4N2O5S2
Molecular Weight176.17 g/mol
Exact Mass175.96
IUPAC Namesulfamoyl sulfamate
SMILESNS(=O)(=O)OS(N)(=O)=O
InChIInChI=1S/H4N2O5S2/c1-8(3,4)7-9(2,5)6/h(H2,1,3,4)(H2,2,5,6)
InChIKeyVJLYUPQRMYUUNS-UHFFFAOYSA-N
XLogP-2.59
TPSA129.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-2.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sulfamoyl sulfamate?
The IUPAC name of sulfamoyl sulfamate (CID 22496615) is sulfamoyl sulfamate.
What is the SMILES notation for sulfamoyl sulfamate?
The canonical SMILES for sulfamoyl sulfamate is NS(=O)(=O)OS(N)(=O)=O.
What is the InChIKey of sulfamoyl sulfamate?
The InChIKey is VJLYUPQRMYUUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N2O5S2/c1-8(3,4)7-9(2,5)6/h(H2,1,3,4)(H2,2,5,6).
What are the key properties of sulfamoyl sulfamate?
sulfamoyl sulfamate has a molecular weight of 176.17 g/mol, XLogP of -2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamoyl sulfamate is sourced from PubChem (CID 22496615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).