bis(nickel(2+));sulfamic acid;disulfate

H3NNi2O11S3 — CID 157251351

IUPACbis(nickel(2+));sulfamic acid;disulfate
SMILESNS(=O)(=O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ni+2].[Ni+2]
InChIInChI=1S/H3NO3S.2Ni.2H2O4S/c1-5(2,3)4;;;2*1-5(2,3)4/h(H3,1,2,3,4);;;2*(H2,1,2,3,4)/q;2*+2;;/p-4
InChIKeyAWJOAMOEPSZPBJ-UHFFFAOYSA-J
MW406.61 g/mol
LogP-3.93
Rot. Bonds

About bis(nickel(2+));sulfamic acid;disulfate

bis(nickel(2+));sulfamic acid;disulfate (PubChem CID 157251351) has the molecular formula H3NNi2O11S3 and a molecular weight of 406.61 g/mol. Its IUPAC name is bis(nickel(2+));sulfamic acid;disulfate.

Molecular Properties

Compound Namebis(nickel(2+));sulfamic acid;disulfate
PubChem CID157251351
Molecular FormulaH3NNi2O11S3
Molecular Weight406.61 g/mol
Exact Mass404.76
IUPAC Namebis(nickel(2+));sulfamic acid;disulfate
SMILESNS(=O)(=O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ni+2].[Ni+2]
InChIInChI=1S/H3NO3S.2Ni.2H2O4S/c1-5(2,3)4;;;2*1-5(2,3)4/h(H3,1,2,3,4);;;2*(H2,1,2,3,4)/q;2*+2;;/p-4
InChIKeyAWJOAMOEPSZPBJ-UHFFFAOYSA-J
XLogP-3.93
TPSA240.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.61
LogP ≤ 5-3.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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CID 174840417
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methane;sulfamic acid
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azane;sulfamic acid
CID 172811731
CID 131847531
CID 131847531
disulfanium;sulfuric acid;sulfate
CID 172711124
tetrasodium;sulfuric acid;disulfate
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decacalcium;sulfuric acid;decasulfate
CID 173083676
nickel(2+);disulfamate;hexahydrate
CID 139665269
azanide;nickel(2+);sulfamate
CID 174833481

Frequently Asked Questions

What is the IUPAC name of bis(nickel(2+));sulfamic acid;disulfate?
The IUPAC name of bis(nickel(2+));sulfamic acid;disulfate (CID 157251351) is bis(nickel(2+));sulfamic acid;disulfate.
What is the SMILES notation for bis(nickel(2+));sulfamic acid;disulfate?
The canonical SMILES for bis(nickel(2+));sulfamic acid;disulfate is NS(=O)(=O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ni+2].[Ni+2].
What is the InChIKey of bis(nickel(2+));sulfamic acid;disulfate?
The InChIKey is AWJOAMOEPSZPBJ-UHFFFAOYSA-J. The full InChI is InChI=1S/H3NO3S.2Ni.2H2O4S/c1-5(2,3)4;;;2*1-5(2,3)4/h(H3,1,2,3,4);;;2*(H2,1,2,3,4)/q;2*+2;;/p-4.
What are the key properties of bis(nickel(2+));sulfamic acid;disulfate?
bis(nickel(2+));sulfamic acid;disulfate has a molecular weight of 406.61 g/mol, XLogP of -3.93, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(nickel(2+));sulfamic acid;disulfate is sourced from PubChem (CID 157251351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).