2-Acetamidoethane-1-sulfonic acid--magnesium (2/1)

C8H18MgN2O8S2 — CID 165362673

IUPAC—
SMILESCC(=O)NCCS(=O)(=O)O.CC(=O)NCCS(=O)(=O)O.[Mg]
InChIInChI=1S/2C4H9NO4S.Mg/c2*1-4(6)5-2-3-10(7,8)9;/h2*2-3H2,1H3,(H,5,6)(H,7,8,9);
InChIKeyIAGHTFSECKAESQ-UHFFFAOYSA-N
MW358.68 g/mol
LogP-2.36
Rot. Bonds6

About 2-Acetamidoethane-1-sulfonic acid--magnesium (2/1)

2-Acetamidoethane-1-sulfonic acid--magnesium (2/1) (PubChem CID 165362673) has the molecular formula C8H18MgN2O8S2 and a molecular weight of 358.68 g/mol.

Molecular Properties

Compound Name2-Acetamidoethane-1-sulfonic acid--magnesium (2/1)
PubChem CID165362673
Molecular FormulaC8H18MgN2O8S2
Molecular Weight358.68 g/mol
Exact Mass358.04
IUPAC Name—
SMILESCC(=O)NCCS(=O)(=O)O.CC(=O)NCCS(=O)(=O)O.[Mg]
InChIInChI=1S/2C4H9NO4S.Mg/c2*1-4(6)5-2-3-10(7,8)9;/h2*2-3H2,1H3,(H,5,6)(H,7,8,9);
InChIKeyIAGHTFSECKAESQ-UHFFFAOYSA-N
XLogP-2.36
TPSA166.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.68
LogP ≤ 5-2.36
H-Bond Donors ≤ 54
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 2-Acetamidoethane-1-sulfonic acid--magnesium (2/1)?
The IUPAC name of 2-Acetamidoethane-1-sulfonic acid--magnesium (2/1) (CID 165362673) is not available.
What is the SMILES notation for 2-Acetamidoethane-1-sulfonic acid--magnesium (2/1)?
The canonical SMILES for 2-Acetamidoethane-1-sulfonic acid--magnesium (2/1) is CC(=O)NCCS(=O)(=O)O.CC(=O)NCCS(=O)(=O)O.[Mg].
What is the InChIKey of 2-Acetamidoethane-1-sulfonic acid--magnesium (2/1)?
The InChIKey is IAGHTFSECKAESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9NO4S.Mg/c2*1-4(6)5-2-3-10(7,8)9;/h2*2-3H2,1H3,(H,5,6)(H,7,8,9);.
What are the key properties of 2-Acetamidoethane-1-sulfonic acid--magnesium (2/1)?
2-Acetamidoethane-1-sulfonic acid--magnesium (2/1) has a molecular weight of 358.68 g/mol, XLogP of -2.36, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Acetamidoethane-1-sulfonic acid--magnesium (2/1) is sourced from PubChem (CID 165362673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).