azido N-diazosulfamate

N6O3S — CID 18945546

IUPACazido N-diazosulfamate
SMILES[N-]=[N+]=NOS(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/N6O3S/c1-3-5-9-10(7,8)6-4-2
InChIKeyDNKNHOROYCLEPN-UHFFFAOYSA-N
MW164.11 g/mol
LogP0.78
Rot. Bonds3

About azido N-diazosulfamate

azido N-diazosulfamate (PubChem CID 18945546) has the molecular formula N6O3S and a molecular weight of 164.11 g/mol. Its IUPAC name is azido N-diazosulfamate.

Molecular Properties

Compound Nameazido N-diazosulfamate
PubChem CID18945546
Molecular FormulaN6O3S
Molecular Weight164.11 g/mol
Exact Mass163.98
IUPAC Nameazido N-diazosulfamate
SMILES[N-]=[N+]=NOS(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/N6O3S/c1-3-5-9-10(7,8)6-4-2
InChIKeyDNKNHOROYCLEPN-UHFFFAOYSA-N
XLogP0.78
TPSA140.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.11
LogP ≤ 50.78
H-Bond Donors ≤ 50
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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Related Compounds

O-azidosulfonyl methanethioate
CID 135223066
sulfuryl diazide
CID 15191028
ethoxyethane;sulfuryl diazide
CID 174776903
diazido 1,2-diphenylethene-1,2-disulfonate
CID 54154332
azido 4-(trifluoromethyl)benzenesulfonate
CID 151268382
azidooxysilane
CID 149432924
5-azidosulfonyl-2-azidosulfonyloxybenzoic acid
CID 88815060
N-diazo-1-trimethylsilylethanesulfonamide
CID 87276319
imino(sulfooxyimino)azanium
CID 173131438
2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide
CID 19882754
methyl 2-azidosulfonyl-2,2-difluoroacetate
CID 12916791
N-diazo-1H-pyrazole-4-sulfonamide
CID 60917164

Frequently Asked Questions

What is the IUPAC name of azido N-diazosulfamate?
The IUPAC name of azido N-diazosulfamate (CID 18945546) is azido N-diazosulfamate.
What is the SMILES notation for azido N-diazosulfamate?
The canonical SMILES for azido N-diazosulfamate is [N-]=[N+]=NOS(=O)(=O)N=[N+]=[N-].
What is the InChIKey of azido N-diazosulfamate?
The InChIKey is DNKNHOROYCLEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/N6O3S/c1-3-5-9-10(7,8)6-4-2.
What are the key properties of azido N-diazosulfamate?
azido N-diazosulfamate has a molecular weight of 164.11 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azido N-diazosulfamate is sourced from PubChem (CID 18945546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).