cobalt(2+);nickel(2+);tetrasulfamate

H8CoN4NiO12S4 — CID 160768956

IUPACcobalt(2+);nickel(2+);tetrasulfamate
SMILESNS(=O)(=O)[O-].NS(=O)(=O)[O-].NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Co+2].[Ni+2]
InChIInChI=1S/Co.4H3NO3S.Ni/c;4*1-5(2,3)4;/h;4*(H3,1,2,3,4);/q+2;;;;;+2/p-4
InChIKeyRZBAOHIEEDMCNK-UHFFFAOYSA-J
MW501.97 g/mol
LogP-6.38
Rot. Bonds

About cobalt(2+);nickel(2+);tetrasulfamate

cobalt(2+);nickel(2+);tetrasulfamate (PubChem CID 160768956) has the molecular formula H8CoN4NiO12S4 and a molecular weight of 501.97 g/mol. Its IUPAC name is cobalt(2+);nickel(2+);tetrasulfamate.

Molecular Properties

Compound Namecobalt(2+);nickel(2+);tetrasulfamate
PubChem CID160768956
Molecular FormulaH8CoN4NiO12S4
Molecular Weight501.97 g/mol
Exact Mass500.77
IUPAC Namecobalt(2+);nickel(2+);tetrasulfamate
SMILESNS(=O)(=O)[O-].NS(=O)(=O)[O-].NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Co+2].[Ni+2]
InChIInChI=1S/Co.4H3NO3S.Ni/c;4*1-5(2,3)4;/h;4*(H3,1,2,3,4);/q+2;;;;;+2/p-4
InChIKeyRZBAOHIEEDMCNK-UHFFFAOYSA-J
XLogP-6.38
TPSA332.88 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.97
LogP ≤ 5-6.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

cobalt(2+) disulfamate
CID 26398
nickel(2+);disulfamate;hexahydrate
CID 139665269
azanide;nickel(2+);sulfamate
CID 174833481
cobalt(2+);nickel;disulfamate
CID 173214745
silver;azane;sulfamate
CID 159760884
dichloronickel;nickel(2+);disulfamate
CID 161475993
nickel(2+);cyanide;sulfamate
CID 160755995
indium(3+);lead(2+);pentasulfamate
CID 160881617
cobalt(2+);nickel(2+);sulfamic acid;disulfate
CID 174840417
sodium;azane;sulfamate;hydrochloride
CID 175097549
bis(nickel(2+));sulfamic acid;disulfate
CID 157251351
CID 162021286
CID 162021286

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);nickel(2+);tetrasulfamate?
The IUPAC name of cobalt(2+);nickel(2+);tetrasulfamate (CID 160768956) is cobalt(2+);nickel(2+);tetrasulfamate.
What is the SMILES notation for cobalt(2+);nickel(2+);tetrasulfamate?
The canonical SMILES for cobalt(2+);nickel(2+);tetrasulfamate is NS(=O)(=O)[O-].NS(=O)(=O)[O-].NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Co+2].[Ni+2].
What is the InChIKey of cobalt(2+);nickel(2+);tetrasulfamate?
The InChIKey is RZBAOHIEEDMCNK-UHFFFAOYSA-J. The full InChI is InChI=1S/Co.4H3NO3S.Ni/c;4*1-5(2,3)4;/h;4*(H3,1,2,3,4);/q+2;;;;;+2/p-4.
What are the key properties of cobalt(2+);nickel(2+);tetrasulfamate?
cobalt(2+);nickel(2+);tetrasulfamate has a molecular weight of 501.97 g/mol, XLogP of -6.38, 0 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);nickel(2+);tetrasulfamate is sourced from PubChem (CID 160768956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).