magnesium bis(1-aminoethanesulfonate)

C4H12MgN2O6S2 — CID 134824026

IUPACmagnesium bis(1-aminoethanesulfonate)
SMILESCC(N)S(=O)(=O)[O-].CC(N)S(=O)(=O)[O-].[Mg+2]
InChIInChI=1S/2C2H7NO3S.Mg/c2*1-2(3)7(4,5)6;/h2*2H,3H2,1H3,(H,4,5,6);/q;;+2/p-2
InChIKeyUUXAHULNTGJRLF-UHFFFAOYSA-L
MW272.59 g/mol
LogP-2.71
Rot. Bonds2

About magnesium bis(1-aminoethanesulfonate)

magnesium bis(1-aminoethanesulfonate) (PubChem CID 134824026) has the molecular formula C4H12MgN2O6S2 and a molecular weight of 272.59 g/mol. Its IUPAC name is magnesium bis(1-aminoethanesulfonate).

Molecular Properties

Compound Namemagnesium bis(1-aminoethanesulfonate)
PubChem CID134824026
Molecular FormulaC4H12MgN2O6S2
Molecular Weight272.59 g/mol
Exact Mass272.00
IUPAC Namemagnesium bis(1-aminoethanesulfonate)
SMILESCC(N)S(=O)(=O)[O-].CC(N)S(=O)(=O)[O-].[Mg+2]
InChIInChI=1S/2C2H7NO3S.Mg/c2*1-2(3)7(4,5)6;/h2*2H,3H2,1H3,(H,4,5,6);/q;;+2/p-2
InChIKeyUUXAHULNTGJRLF-UHFFFAOYSA-L
XLogP-2.71
TPSA166.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.59
LogP ≤ 5-2.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 magnesium bis(1-aminoethanesulfonate)?
The IUPAC name of magnesium bis(1-aminoethanesulfonate) (CID 134824026) is magnesium bis(1-aminoethanesulfonate).
What is the SMILES notation for magnesium bis(1-aminoethanesulfonate)?
The canonical SMILES for magnesium bis(1-aminoethanesulfonate) is CC(N)S(=O)(=O)[O-].CC(N)S(=O)(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis(1-aminoethanesulfonate)?
The InChIKey is UUXAHULNTGJRLF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H7NO3S.Mg/c2*1-2(3)7(4,5)6;/h2*2H,3H2,1H3,(H,4,5,6);/q;;+2/p-2.
What are the key properties of magnesium bis(1-aminoethanesulfonate)?
magnesium bis(1-aminoethanesulfonate) has a molecular weight of 272.59 g/mol, XLogP of -2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(1-aminoethanesulfonate) is sourced from PubChem (CID 134824026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).