potassium 3-methoxy-2-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidine-1-sulfonate

C10H11KN2O6S2 — CID 23680939

IUPACpotassium 3-methoxy-2-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidine-1-sulfonate
SMILESCOC1(NC(=O)Cc2cccs2)CN(S(=O)(=O)[O-])C1=O.[K+]
InChIInChI=1S/C10H12N2O6S2.K/c1-18-10(6-12(9(10)14)20(15,16)17)11-8(13)5-7-3-2-4-19-7;/h2-4H,5-6H2,1H3,(H,11,13)(H,15,16,17);/q;+1/p-1
InChIKeyFDRWOQLUINKHSA-UHFFFAOYSA-M
MW358.44 g/mol
LogP-3.94
Rot. Bonds5

About potassium 3-methoxy-2-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidine-1-sulfonate

potassium 3-methoxy-2-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidine-1-sulfonate (PubChem CID 23680939) has the molecular formula C10H11KN2O6S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is potassium 3-methoxy-2-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidine-1-sulfonate.

Molecular Properties

Compound Namepotassium 3-methoxy-2-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidine-1-sulfonate
PubChem CID23680939
Molecular FormulaC10H11KN2O6S2
Molecular Weight358.44 g/mol
Exact Mass357.97
IUPAC Namepotassium 3-methoxy-2-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidine-1-sulfonate
SMILESCOC1(NC(=O)Cc2cccs2)CN(S(=O)(=O)[O-])C1=O.[K+]
InChIInChI=1S/C10H12N2O6S2.K/c1-18-10(6-12(9(10)14)20(15,16)17)11-8(13)5-7-3-2-4-19-7;/h2-4H,5-6H2,1H3,(H,11,13)(H,15,16,17);/q;+1/p-1
InChIKeyFDRWOQLUINKHSA-UHFFFAOYSA-M
XLogP-3.94
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 5-3.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 3-methoxy-2-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidine-1-sulfonate?
The IUPAC name of potassium 3-methoxy-2-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidine-1-sulfonate (CID 23680939) is potassium 3-methoxy-2-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidine-1-sulfonate.
What is the SMILES notation for potassium 3-methoxy-2-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidine-1-sulfonate?
The canonical SMILES for potassium 3-methoxy-2-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidine-1-sulfonate is COC1(NC(=O)Cc2cccs2)CN(S(=O)(=O)[O-])C1=O.[K+].
What is the InChIKey of potassium 3-methoxy-2-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidine-1-sulfonate?
The InChIKey is FDRWOQLUINKHSA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12N2O6S2.K/c1-18-10(6-12(9(10)14)20(15,16)17)11-8(13)5-7-3-2-4-19-7;/h2-4H,5-6H2,1H3,(H,11,13)(H,15,16,17);/q;+1/p-1.
What are the key properties of potassium 3-methoxy-2-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidine-1-sulfonate?
potassium 3-methoxy-2-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidine-1-sulfonate has a molecular weight of 358.44 g/mol, XLogP of -3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-methoxy-2-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidine-1-sulfonate is sourced from PubChem (CID 23680939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).