bis(N-aminosulfamate);barium(2+)

H6BaN4O6S2 — CID 159842556

IUPACbis(N-aminosulfamate);barium(2+)
SMILESNNS(=O)(=O)[O-].NNS(=O)(=O)[O-].[Ba+2]
InChIInChI=1S/Ba.2H4N2O3S/c;2*1-2-6(3,4)5/h;2*2H,1H2,(H,3,4,5)/q+2;;/p-2
InChIKeyNOWDQBRDVLBLRS-UHFFFAOYSA-L
MW359.53 g/mol
LogP-4.56
Rot. Bonds2

About bis(N-aminosulfamate);barium(2+)

bis(N-aminosulfamate);barium(2+) (PubChem CID 159842556) has the molecular formula H6BaN4O6S2 and a molecular weight of 359.53 g/mol. Its IUPAC name is bis(N-aminosulfamate);barium(2+).

Molecular Properties

Compound Namebis(N-aminosulfamate);barium(2+)
PubChem CID159842556
Molecular FormulaH6BaN4O6S2
Molecular Weight359.53 g/mol
Exact Mass359.88
IUPAC Namebis(N-aminosulfamate);barium(2+)
SMILESNNS(=O)(=O)[O-].NNS(=O)(=O)[O-].[Ba+2]
InChIInChI=1S/Ba.2H4N2O3S/c;2*1-2-6(3,4)5/h;2*2H,1H2,(H,3,4,5)/q+2;;/p-2
InChIKeyNOWDQBRDVLBLRS-UHFFFAOYSA-L
XLogP-4.56
TPSA190.50 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.53
LogP ≤ 5-4.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-aminosulfamate);barium(2+)?
The IUPAC name of bis(N-aminosulfamate);barium(2+) (CID 159842556) is bis(N-aminosulfamate);barium(2+).
What is the SMILES notation for bis(N-aminosulfamate);barium(2+)?
The canonical SMILES for bis(N-aminosulfamate);barium(2+) is NNS(=O)(=O)[O-].NNS(=O)(=O)[O-].[Ba+2].
What is the InChIKey of bis(N-aminosulfamate);barium(2+)?
The InChIKey is NOWDQBRDVLBLRS-UHFFFAOYSA-L. The full InChI is InChI=1S/Ba.2H4N2O3S/c;2*1-2-6(3,4)5/h;2*2H,1H2,(H,3,4,5)/q+2;;/p-2.
What are the key properties of bis(N-aminosulfamate);barium(2+)?
bis(N-aminosulfamate);barium(2+) has a molecular weight of 359.53 g/mol, XLogP of -4.56, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-aminosulfamate);barium(2+) is sourced from PubChem (CID 159842556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).