nickel(2+);disulfamate;hexahydrate

H16N2NiO12S2 — CID 139665269

IUPACnickel(2+);disulfamate;hexahydrate
SMILESNS(=O)(=O)[O-].NS(=O)(=O)[O-].O.O.O.O.O.O.[Ni+2]
InChIInChI=1S/2H3NO3S.Ni.6H2O/c2*1-5(2,3)4;;;;;;;/h2*(H3,1,2,3,4);;6*1H2/q;;+2;;;;;;/p-2
InChIKeyZZQFWPUTECFDGO-UHFFFAOYSA-L
MW358.96 g/mol
LogP-8.14
Rot. Bonds

About nickel(2+);disulfamate;hexahydrate

nickel(2+);disulfamate;hexahydrate (PubChem CID 139665269) has the molecular formula H16N2NiO12S2 and a molecular weight of 358.96 g/mol. Its IUPAC name is nickel(2+);disulfamate;hexahydrate.

Molecular Properties

Compound Namenickel(2+);disulfamate;hexahydrate
PubChem CID139665269
Molecular FormulaH16N2NiO12S2
Molecular Weight358.96 g/mol
Exact Mass357.95
IUPAC Namenickel(2+);disulfamate;hexahydrate
SMILESNS(=O)(=O)[O-].NS(=O)(=O)[O-].O.O.O.O.O.O.[Ni+2]
InChIInChI=1S/2H3NO3S.Ni.6H2O/c2*1-5(2,3)4;;;;;;;/h2*(H3,1,2,3,4);;6*1H2/q;;+2;;;;;;/p-2
InChIKeyZZQFWPUTECFDGO-UHFFFAOYSA-L
XLogP-8.14
TPSA355.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.96
LogP ≤ 5-8.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

azanide;nickel(2+);sulfamate
CID 174833481
cobalt(2+);nickel(2+);tetrasulfamate
CID 160768956
silver;azane;sulfamate
CID 159760884
cobalt(2+) disulfamate
CID 26398
dichloronickel;nickel(2+);disulfamate
CID 161475993
nickel(2+);cyanide;sulfamate
CID 160755995
indium(3+);lead(2+);pentasulfamate
CID 160881617
cobalt(2+);nickel;disulfamate
CID 173214745
sodium;azane;sulfamate;hydrochloride
CID 175097549
dicalcium;hydroxide;sulfate;hydrate
CID 160810730
bis(nickel(2+));sulfamic acid;disulfate
CID 157251351
sulfate trihydrate
CID 22613957

Frequently Asked Questions

What is the IUPAC name of nickel(2+);disulfamate;hexahydrate?
The IUPAC name of nickel(2+);disulfamate;hexahydrate (CID 139665269) is nickel(2+);disulfamate;hexahydrate.
What is the SMILES notation for nickel(2+);disulfamate;hexahydrate?
The canonical SMILES for nickel(2+);disulfamate;hexahydrate is NS(=O)(=O)[O-].NS(=O)(=O)[O-].O.O.O.O.O.O.[Ni+2].
What is the InChIKey of nickel(2+);disulfamate;hexahydrate?
The InChIKey is ZZQFWPUTECFDGO-UHFFFAOYSA-L. The full InChI is InChI=1S/2H3NO3S.Ni.6H2O/c2*1-5(2,3)4;;;;;;;/h2*(H3,1,2,3,4);;6*1H2/q;;+2;;;;;;/p-2.
What are the key properties of nickel(2+);disulfamate;hexahydrate?
nickel(2+);disulfamate;hexahydrate has a molecular weight of 358.96 g/mol, XLogP of -8.14, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);disulfamate;hexahydrate is sourced from PubChem (CID 139665269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).