magnesium bis(2-aminoethanesulfonate)

C4H12MgN2O6S2 — CID 13343447

IUPACmagnesium bis(2-aminoethanesulfonate)
SMILESNCCS(=O)(=O)[O-].NCCS(=O)(=O)[O-].[Mg+2]
InChIInChI=1S/2C2H7NO3S.Mg/c2*3-1-2-7(4,5)6;/h2*1-3H2,(H,4,5,6);/q;;+2/p-2
InChIKeyYZURQOBSFRVSEB-UHFFFAOYSA-L
MW272.59 g/mol
LogP-3.40
Rot. Bonds4

About magnesium bis(2-aminoethanesulfonate)

magnesium bis(2-aminoethanesulfonate) (PubChem CID 13343447) has the molecular formula C4H12MgN2O6S2 and a molecular weight of 272.59 g/mol. Its IUPAC name is magnesium bis(2-aminoethanesulfonate).

Molecular Properties

Compound Namemagnesium bis(2-aminoethanesulfonate)
PubChem CID13343447
Molecular FormulaC4H12MgN2O6S2
Molecular Weight272.59 g/mol
Exact Mass272.00
IUPAC Namemagnesium bis(2-aminoethanesulfonate)
SMILESNCCS(=O)(=O)[O-].NCCS(=O)(=O)[O-].[Mg+2]
InChIInChI=1S/2C2H7NO3S.Mg/c2*3-1-2-7(4,5)6;/h2*1-3H2,(H,4,5,6);/q;;+2/p-2
InChIKeyYZURQOBSFRVSEB-UHFFFAOYSA-L
XLogP-3.40
TPSA166.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.59
LogP ≤ 5-3.40
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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Related Compounds

2-(2-Aminoethylsulfonylsulfanyl)ethanamine
CID 437876
Iron(II) taurate
CID 165362857
N-[2-(ethylsulfonylamino)ethyl]ethanesulfonamide
CID 3336314
Thiotaurine S-(2-aminoethyl) ester, dihydrochloride
CID 3084052
Taurine Zinc Salt (2:1)
CID 88092469
2-Aminoethane sulfonic acid (tau-rine)
CID 22395471
Ammonium tauryl ether
CID 44554695
Monotauryl ether
CID 57474130
Aminosulfonic acid taurine
CID 71767464
Hypotaurine taurine
CID 87773826
aminoethane sulfonic Acid magnesium Salt
CID 134824026
2-Amino-2'-sulfodiethyl disulfide
CID 85670403

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-aminoethanesulfonate)?
The IUPAC name of magnesium bis(2-aminoethanesulfonate) (CID 13343447) is magnesium bis(2-aminoethanesulfonate).
What is the SMILES notation for magnesium bis(2-aminoethanesulfonate)?
The canonical SMILES for magnesium bis(2-aminoethanesulfonate) is NCCS(=O)(=O)[O-].NCCS(=O)(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis(2-aminoethanesulfonate)?
The InChIKey is YZURQOBSFRVSEB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H7NO3S.Mg/c2*3-1-2-7(4,5)6;/h2*1-3H2,(H,4,5,6);/q;;+2/p-2.
What are the key properties of magnesium bis(2-aminoethanesulfonate)?
magnesium bis(2-aminoethanesulfonate) has a molecular weight of 272.59 g/mol, XLogP of -3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-aminoethanesulfonate) is sourced from PubChem (CID 13343447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).