azido sulfamate

H2N4O3S — CID 87397176

IUPACazido sulfamate
SMILES[N-]=[N+]=NOS(N)(=O)=O
InChIInChI=1S/H2N4O3S/c1-3-4-7-8(2,5)6/h(H2,2,5,6)
InChIKeyPIEYKKFHHUKZLE-UHFFFAOYSA-N
MW138.11 g/mol
LogP-0.57
Rot. Bonds2

About azido sulfamate

azido sulfamate (PubChem CID 87397176) has the molecular formula H2N4O3S and a molecular weight of 138.11 g/mol. Its IUPAC name is azido sulfamate.

Molecular Properties

Compound Nameazido sulfamate
PubChem CID87397176
Molecular FormulaH2N4O3S
Molecular Weight138.11 g/mol
Exact Mass137.98
IUPAC Nameazido sulfamate
SMILES[N-]=[N+]=NOS(N)(=O)=O
InChIInChI=1S/H2N4O3S/c1-3-4-7-8(2,5)6/h(H2,2,5,6)
InChIKeyPIEYKKFHHUKZLE-UHFFFAOYSA-N
XLogP-0.57
TPSA118.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.11
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azido sulfamate?
The IUPAC name of azido sulfamate (CID 87397176) is azido sulfamate.
What is the SMILES notation for azido sulfamate?
The canonical SMILES for azido sulfamate is [N-]=[N+]=NOS(N)(=O)=O.
What is the InChIKey of azido sulfamate?
The InChIKey is PIEYKKFHHUKZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/H2N4O3S/c1-3-4-7-8(2,5)6/h(H2,2,5,6).
What are the key properties of azido sulfamate?
azido sulfamate has a molecular weight of 138.11 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azido sulfamate is sourced from PubChem (CID 87397176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).