nickel(2+);cyanide;sulfamate

CH2N2NiO3S — CID 160755995

IUPACnickel(2+);cyanide;sulfamate
SMILESNS(=O)(=O)[O-].[C-]#N.[Ni+2]
InChIInChI=1S/CN.H3NO3S.Ni/c1-2;1-5(2,3)4;/h;(H3,1,2,3,4);/q-1;;+2/p-1
InChIKeyRXLBRZDFEUSVLS-UHFFFAOYSA-M
MW180.80 g/mol
LogP-1.50
Rot. Bonds

About nickel(2+);cyanide;sulfamate

nickel(2+);cyanide;sulfamate (PubChem CID 160755995) has the molecular formula CH2N2NiO3S and a molecular weight of 180.80 g/mol. Its IUPAC name is nickel(2+);cyanide;sulfamate.

Molecular Properties

Compound Namenickel(2+);cyanide;sulfamate
PubChem CID160755995
Molecular FormulaCH2N2NiO3S
Molecular Weight180.80 g/mol
Exact Mass179.91
IUPAC Namenickel(2+);cyanide;sulfamate
SMILESNS(=O)(=O)[O-].[C-]#N.[Ni+2]
InChIInChI=1S/CN.H3NO3S.Ni/c1-2;1-5(2,3)4;/h;(H3,1,2,3,4);/q-1;;+2/p-1
InChIKeyRXLBRZDFEUSVLS-UHFFFAOYSA-M
XLogP-1.50
TPSA107.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.80
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

nickel(2+);disulfamate;hexahydrate
CID 139665269
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
indium(3+);lead(2+);pentasulfamate
CID 160881617
cobalt(2+);nickel;disulfamate
CID 173214745
sodium;azane;sulfamate;hydrochloride
CID 175097549
zinc;hydrogen sulfate;cyanide
CID 88619780
bis(nickel(2+));sulfamic acid;disulfate
CID 157251351
cobalt(2+);nickel(2+);sulfamic acid;disulfate
CID 174840417

Frequently Asked Questions

What is the IUPAC name of nickel(2+);cyanide;sulfamate?
The IUPAC name of nickel(2+);cyanide;sulfamate (CID 160755995) is nickel(2+);cyanide;sulfamate.
What is the SMILES notation for nickel(2+);cyanide;sulfamate?
The canonical SMILES for nickel(2+);cyanide;sulfamate is NS(=O)(=O)[O-].[C-]#N.[Ni+2].
What is the InChIKey of nickel(2+);cyanide;sulfamate?
The InChIKey is RXLBRZDFEUSVLS-UHFFFAOYSA-M. The full InChI is InChI=1S/CN.H3NO3S.Ni/c1-2;1-5(2,3)4;/h;(H3,1,2,3,4);/q-1;;+2/p-1.
What are the key properties of nickel(2+);cyanide;sulfamate?
nickel(2+);cyanide;sulfamate has a molecular weight of 180.80 g/mol, XLogP of -1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);cyanide;sulfamate is sourced from PubChem (CID 160755995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).