nickel(2+);bis(propane-2-sulfonate)

C6H14NiO6S2 — CID 18692784

IUPACnickel(2+);bis(propane-2-sulfonate)
SMILESCC(C)S(=O)(=O)[O-].CC(C)S(=O)(=O)[O-].[Ni+2]
InChIInChI=1S/2C3H8O3S.Ni/c2*1-3(2)7(4,5)6;/h2*3H,1-2H3,(H,4,5,6);/q;;+2/p-2
InChIKeyDEBMQXHCOBVMDF-UHFFFAOYSA-L
MW305.00 g/mol
LogP-0.12
Rot. Bonds2

About nickel(2+);bis(propane-2-sulfonate)

nickel(2+);bis(propane-2-sulfonate) (PubChem CID 18692784) has the molecular formula C6H14NiO6S2 and a molecular weight of 305.00 g/mol. Its IUPAC name is nickel(2+);bis(propane-2-sulfonate).

Molecular Properties

Compound Namenickel(2+);bis(propane-2-sulfonate)
PubChem CID18692784
Molecular FormulaC6H14NiO6S2
Molecular Weight305.00 g/mol
Exact Mass303.96
IUPAC Namenickel(2+);bis(propane-2-sulfonate)
SMILESCC(C)S(=O)(=O)[O-].CC(C)S(=O)(=O)[O-].[Ni+2]
InChIInChI=1S/2C3H8O3S.Ni/c2*1-3(2)7(4,5)6;/h2*3H,1-2H3,(H,4,5,6);/q;;+2/p-2
InChIKeyDEBMQXHCOBVMDF-UHFFFAOYSA-L
XLogP-0.12
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.00
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nickel(2+);bis(propane-2-sulfonate)?
The IUPAC name of nickel(2+);bis(propane-2-sulfonate) (CID 18692784) is nickel(2+);bis(propane-2-sulfonate).
What is the SMILES notation for nickel(2+);bis(propane-2-sulfonate)?
The canonical SMILES for nickel(2+);bis(propane-2-sulfonate) is CC(C)S(=O)(=O)[O-].CC(C)S(=O)(=O)[O-].[Ni+2].
What is the InChIKey of nickel(2+);bis(propane-2-sulfonate)?
The InChIKey is DEBMQXHCOBVMDF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H8O3S.Ni/c2*1-3(2)7(4,5)6;/h2*3H,1-2H3,(H,4,5,6);/q;;+2/p-2.
What are the key properties of nickel(2+);bis(propane-2-sulfonate)?
nickel(2+);bis(propane-2-sulfonate) has a molecular weight of 305.00 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);bis(propane-2-sulfonate) is sourced from PubChem (CID 18692784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).