bis(N-cyclohexylsulfamate);tris(mercury(2+));bis(oxygen(2-))

C12H24Hg3N2O8S2 — CID 54611901

IUPACbis(N-cyclohexylsulfamate);tris(mercury(2+));bis(oxygen(2-))
SMILESO=S(=O)([O-])NC1CCCCC1.O=S(=O)([O-])NC1CCCCC1.[Hg+2].[Hg+2].[Hg+2].[O-2].[O-2]
InChIInChI=1S/2C6H13NO3S.3Hg.2O/c2*8-11(9,10)7-6-4-2-1-3-5-6;;;;;/h2*6-7H,1-5H2,(H,8,9,10);;;;;/q;;3*+2;2*-2/p-2
InChIKeyGHIVQWSXVZHEHQ-UHFFFAOYSA-L
MW990.23 g/mol
LogP0.49
Rot. Bonds4

About bis(N-cyclohexylsulfamate);tris(mercury(2+));bis(oxygen(2-))

bis(N-cyclohexylsulfamate);tris(mercury(2+));bis(oxygen(2-)) (PubChem CID 54611901) has the molecular formula C12H24Hg3N2O8S2 and a molecular weight of 990.23 g/mol. Its IUPAC name is bis(N-cyclohexylsulfamate);tris(mercury(2+));bis(oxygen(2-)).

Molecular Properties

Compound Namebis(N-cyclohexylsulfamate);tris(mercury(2+));bis(oxygen(2-))
PubChem CID54611901
Molecular FormulaC12H24Hg3N2O8S2
Molecular Weight990.23 g/mol
Exact Mass994.01
IUPAC Namebis(N-cyclohexylsulfamate);tris(mercury(2+));bis(oxygen(2-))
SMILESO=S(=O)([O-])NC1CCCCC1.O=S(=O)([O-])NC1CCCCC1.[Hg+2].[Hg+2].[Hg+2].[O-2].[O-2]
InChIInChI=1S/2C6H13NO3S.3Hg.2O/c2*8-11(9,10)7-6-4-2-1-3-5-6;;;;;/h2*6-7H,1-5H2,(H,8,9,10);;;;;/q;;3*+2;2*-2/p-2
InChIKeyGHIVQWSXVZHEHQ-UHFFFAOYSA-L
XLogP0.49
TPSA195.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500990.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(N-cyclohexylsulfamate);tris(mercury(2+));bis(oxygen(2-))?
The IUPAC name of bis(N-cyclohexylsulfamate);tris(mercury(2+));bis(oxygen(2-)) (CID 54611901) is bis(N-cyclohexylsulfamate);tris(mercury(2+));bis(oxygen(2-)).
What is the SMILES notation for bis(N-cyclohexylsulfamate);tris(mercury(2+));bis(oxygen(2-))?
The canonical SMILES for bis(N-cyclohexylsulfamate);tris(mercury(2+));bis(oxygen(2-)) is O=S(=O)([O-])NC1CCCCC1.O=S(=O)([O-])NC1CCCCC1.[Hg+2].[Hg+2].[Hg+2].[O-2].[O-2].
What is the InChIKey of bis(N-cyclohexylsulfamate);tris(mercury(2+));bis(oxygen(2-))?
The InChIKey is GHIVQWSXVZHEHQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H13NO3S.3Hg.2O/c2*8-11(9,10)7-6-4-2-1-3-5-6;;;;;/h2*6-7H,1-5H2,(H,8,9,10);;;;;/q;;3*+2;2*-2/p-2.
What are the key properties of bis(N-cyclohexylsulfamate);tris(mercury(2+));bis(oxygen(2-))?
bis(N-cyclohexylsulfamate);tris(mercury(2+));bis(oxygen(2-)) has a molecular weight of 990.23 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-cyclohexylsulfamate);tris(mercury(2+));bis(oxygen(2-)) is sourced from PubChem (CID 54611901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).