lithium;hydride;sulfo aziridine-2-carboxylate

C3H6LiNO5S — CID 173429078

IUPAClithium;hydride;sulfo aziridine-2-carboxylate
SMILESO=C(OS(=O)(=O)O)C1CN1.[H-].[Li+]
InChIInChI=1S/C3H5NO5S.Li.H/c5-3(2-1-4-2)9-10(6,7)8;;/h2,4H,1H2,(H,6,7,8);;/q;+1;-1
InChIKeyAJBWGSYREMUPSH-UHFFFAOYSA-N
MW175.09 g/mol
LogP-4.58
Rot. Bonds2

About lithium;hydride;sulfo aziridine-2-carboxylate

lithium;hydride;sulfo aziridine-2-carboxylate (PubChem CID 173429078) has the molecular formula C3H6LiNO5S and a molecular weight of 175.09 g/mol. Its IUPAC name is lithium;hydride;sulfo aziridine-2-carboxylate.

Molecular Properties

Compound Namelithium;hydride;sulfo aziridine-2-carboxylate
PubChem CID173429078
Molecular FormulaC3H6LiNO5S
Molecular Weight175.09 g/mol
Exact Mass175.01
IUPAC Namelithium;hydride;sulfo aziridine-2-carboxylate
SMILESO=C(OS(=O)(=O)O)C1CN1.[H-].[Li+]
InChIInChI=1S/C3H5NO5S.Li.H/c5-3(2-1-4-2)9-10(6,7)8;;/h2,4H,1H2,(H,6,7,8);;/q;+1;-1
InChIKeyAJBWGSYREMUPSH-UHFFFAOYSA-N
XLogP-4.58
TPSA102.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.09
LogP ≤ 5-4.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;sulfo aziridine-2-carboxylate?
The IUPAC name of lithium;hydride;sulfo aziridine-2-carboxylate (CID 173429078) is lithium;hydride;sulfo aziridine-2-carboxylate.
What is the SMILES notation for lithium;hydride;sulfo aziridine-2-carboxylate?
The canonical SMILES for lithium;hydride;sulfo aziridine-2-carboxylate is O=C(OS(=O)(=O)O)C1CN1.[H-].[Li+].
What is the InChIKey of lithium;hydride;sulfo aziridine-2-carboxylate?
The InChIKey is AJBWGSYREMUPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO5S.Li.H/c5-3(2-1-4-2)9-10(6,7)8;;/h2,4H,1H2,(H,6,7,8);;/q;+1;-1.
What are the key properties of lithium;hydride;sulfo aziridine-2-carboxylate?
lithium;hydride;sulfo aziridine-2-carboxylate has a molecular weight of 175.09 g/mol, XLogP of -4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;sulfo aziridine-2-carboxylate is sourced from PubChem (CID 173429078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).