Magnesium N-acetyl taurate

C₄H₉MgNO₄S — CID 158655510

About Magnesium N-acetyl taurate

Magnesium N-acetyl taurate (PubChem CID 158655510) has the molecular formula C₄H₉MgNO₄S and a molecular weight of 191.49 g/mol.

Molecular Properties

• Compound Name: Magnesium N-acetyl taurate
• PubChem CID: 158655510
• Molecular Formula: C₄H₉MgNO₄S
• Molecular Weight: 191.49 g/mol
• Exact Mass: 191.01
• IUPAC Name: —
• SMILES: CC(=O)NCCS(=O)(=O)O.[Mg]
• InChI: InChI=1S/C4H9NO4S.Mg/c1-4(6)5-2-3-10(7,8)9;/h2-3H2,1H3,(H,5,6)(H,7,8,9)
• InChIKey: ICBUNQYFLKWTKT-UHFFFAOYSA-N
• XLogP: -1.37
• TPSA: 83.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	191.49
LogP ≤ 5	-1.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Magnesium N-acetyl taurate?

The IUPAC name of Magnesium N-acetyl taurate (CID 158655510) is not available.

What is the SMILES notation for Magnesium N-acetyl taurate?

The canonical SMILES for Magnesium N-acetyl taurate is CC(=O)NCCS(=O)(=O)O.[Mg].

What is the InChIKey of Magnesium N-acetyl taurate?

The InChIKey is ICBUNQYFLKWTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4S.Mg/c1-4(6)5-2-3-10(7,8)9;/h2-3H2,1H3,(H,5,6)(H,7,8,9);.

What are the key properties of Magnesium N-acetyl taurate?

Magnesium N-acetyl taurate has a molecular weight of 191.49 g/mol, XLogP of -1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Magnesium N-acetyl taurate is sourced from PubChem (CID 158655510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158655510 — identifiers, structure, computed properties (public domain)

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