N-iminoazaniumylidenesulfamate

HN3O3S — CID 173296523

IUPACN-iminoazaniumylidenesulfamate
SMILESN=[N+]=NS(=O)(=O)[O-]
InChIInChI=1S/HN3O3S/c1-2-3-7(4,5)6/h1H
InChIKeyMGWZPORCCXPEOY-UHFFFAOYSA-N
MW123.09 g/mol
LogP-1.00
Rot. Bonds1

About N-iminoazaniumylidenesulfamate

N-iminoazaniumylidenesulfamate (PubChem CID 173296523) has the molecular formula HN3O3S and a molecular weight of 123.09 g/mol. Its IUPAC name is N-iminoazaniumylidenesulfamate.

Molecular Properties

Compound NameN-iminoazaniumylidenesulfamate
PubChem CID173296523
Molecular FormulaHN3O3S
Molecular Weight123.09 g/mol
Exact Mass122.97
IUPAC NameN-iminoazaniumylidenesulfamate
SMILESN=[N+]=NS(=O)(=O)[O-]
InChIInChI=1S/HN3O3S/c1-2-3-7(4,5)6/h1H
InChIKeyMGWZPORCCXPEOY-UHFFFAOYSA-N
XLogP-1.00
TPSA107.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.09
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-iminoazaniumylidenesulfamate?
The IUPAC name of N-iminoazaniumylidenesulfamate (CID 173296523) is N-iminoazaniumylidenesulfamate.
What is the SMILES notation for N-iminoazaniumylidenesulfamate?
The canonical SMILES for N-iminoazaniumylidenesulfamate is N=[N+]=NS(=O)(=O)[O-].
What is the InChIKey of N-iminoazaniumylidenesulfamate?
The InChIKey is MGWZPORCCXPEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/HN3O3S/c1-2-3-7(4,5)6/h1H.
What are the key properties of N-iminoazaniumylidenesulfamate?
N-iminoazaniumylidenesulfamate has a molecular weight of 123.09 g/mol, XLogP of -1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-iminoazaniumylidenesulfamate is sourced from PubChem (CID 173296523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).