lithium;aziridin-2-ylmethanesulfonic acid;hydride

C3H8LiNO3S — CID 174535880

IUPAClithium;aziridin-2-ylmethanesulfonic acid;hydride
SMILESO=S(=O)(O)CC1CN1.[H-].[Li+]
InChIInChI=1S/C3H7NO3S.Li.H/c5-8(6,7)2-3-1-4-3;;/h3-4H,1-2H2,(H,5,6,7);;/q;+1;-1
InChIKeyKVEUHTVDWISGNR-UHFFFAOYSA-N
MW145.11 g/mol
LogP-4.04
Rot. Bonds2

About lithium;aziridin-2-ylmethanesulfonic acid;hydride

lithium;aziridin-2-ylmethanesulfonic acid;hydride (PubChem CID 174535880) has the molecular formula C3H8LiNO3S and a molecular weight of 145.11 g/mol. Its IUPAC name is lithium;aziridin-2-ylmethanesulfonic acid;hydride.

Molecular Properties

Compound Namelithium;aziridin-2-ylmethanesulfonic acid;hydride
PubChem CID174535880
Molecular FormulaC3H8LiNO3S
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Namelithium;aziridin-2-ylmethanesulfonic acid;hydride
SMILESO=S(=O)(O)CC1CN1.[H-].[Li+]
InChIInChI=1S/C3H7NO3S.Li.H/c5-8(6,7)2-3-1-4-3;;/h3-4H,1-2H2,(H,5,6,7);;/q;+1;-1
InChIKeyKVEUHTVDWISGNR-UHFFFAOYSA-N
XLogP-4.04
TPSA76.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-4.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;aziridin-2-ylmethanesulfonic acid;hydride?
The IUPAC name of lithium;aziridin-2-ylmethanesulfonic acid;hydride (CID 174535880) is lithium;aziridin-2-ylmethanesulfonic acid;hydride.
What is the SMILES notation for lithium;aziridin-2-ylmethanesulfonic acid;hydride?
The canonical SMILES for lithium;aziridin-2-ylmethanesulfonic acid;hydride is O=S(=O)(O)CC1CN1.[H-].[Li+].
What is the InChIKey of lithium;aziridin-2-ylmethanesulfonic acid;hydride?
The InChIKey is KVEUHTVDWISGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3S.Li.H/c5-8(6,7)2-3-1-4-3;;/h3-4H,1-2H2,(H,5,6,7);;/q;+1;-1.
What are the key properties of lithium;aziridin-2-ylmethanesulfonic acid;hydride?
lithium;aziridin-2-ylmethanesulfonic acid;hydride has a molecular weight of 145.11 g/mol, XLogP of -4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;aziridin-2-ylmethanesulfonic acid;hydride is sourced from PubChem (CID 174535880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).