calcium disulfamate

H4CaN2O6S2 — CID 22644290

IUPACcalcium disulfamate
SMILESNS(=O)(=O)[O-].NS(=O)(=O)[O-].[Ca+2]
InChIInChI=1S/Ca.2H3NO3S/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2
InChIKeyRSIPQRDGPVEGLE-UHFFFAOYSA-L
MW232.25 g/mol
LogP-3.57
Rot. Bonds

About calcium disulfamate

calcium disulfamate (PubChem CID 22644290) has the molecular formula H4CaN2O6S2 and a molecular weight of 232.25 g/mol. Its IUPAC name is calcium disulfamate.

Molecular Properties

Compound Namecalcium disulfamate
PubChem CID22644290
Molecular FormulaH4CaN2O6S2
Molecular Weight232.25 g/mol
Exact Mass231.91
IUPAC Namecalcium disulfamate
SMILESNS(=O)(=O)[O-].NS(=O)(=O)[O-].[Ca+2]
InChIInChI=1S/Ca.2H3NO3S/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2
InChIKeyRSIPQRDGPVEGLE-UHFFFAOYSA-L
XLogP-3.57
TPSA166.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-3.57
H-Bond Donors ≤ 52
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 calcium disulfamate?
The IUPAC name of calcium disulfamate (CID 22644290) is calcium disulfamate.
What is the SMILES notation for calcium disulfamate?
The canonical SMILES for calcium disulfamate is NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Ca+2].
What is the InChIKey of calcium disulfamate?
The InChIKey is RSIPQRDGPVEGLE-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.2H3NO3S/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2.
What are the key properties of calcium disulfamate?
calcium disulfamate has a molecular weight of 232.25 g/mol, XLogP of -3.57, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium disulfamate is sourced from PubChem (CID 22644290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).