sodium;2-(aziridin-1-yl)ethenesulfonic acid;hydride

C4H8NNaO3S — CID 173206111

IUPACsodium;2-(aziridin-1-yl)ethenesulfonic acid;hydride
SMILESO=S(=O)(O)C=CN1CC1.[H-].[Na+]
InChIInChI=1S/C4H7NO3S.Na.H/c6-9(7,8)4-3-5-1-2-5;;/h3-4H,1-2H2,(H,6,7,8);;/q;+1;-1
InChIKeySKWPIYQRALAKFE-UHFFFAOYSA-N
MW173.17 g/mol
LogP-3.22
Rot. Bonds2

About sodium;2-(aziridin-1-yl)ethenesulfonic acid;hydride

sodium;2-(aziridin-1-yl)ethenesulfonic acid;hydride (PubChem CID 173206111) has the molecular formula C4H8NNaO3S and a molecular weight of 173.17 g/mol. Its IUPAC name is sodium;2-(aziridin-1-yl)ethenesulfonic acid;hydride.

Molecular Properties

Compound Namesodium;2-(aziridin-1-yl)ethenesulfonic acid;hydride
PubChem CID173206111
Molecular FormulaC4H8NNaO3S
Molecular Weight173.17 g/mol
Exact Mass173.01
IUPAC Namesodium;2-(aziridin-1-yl)ethenesulfonic acid;hydride
SMILESO=S(=O)(O)C=CN1CC1.[H-].[Na+]
InChIInChI=1S/C4H7NO3S.Na.H/c6-9(7,8)4-3-5-1-2-5;;/h3-4H,1-2H2,(H,6,7,8);;/q;+1;-1
InChIKeySKWPIYQRALAKFE-UHFFFAOYSA-N
XLogP-3.22
TPSA57.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-3.22
H-Bond Donors ≤ 51
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 sodium;2-(aziridin-1-yl)ethenesulfonic acid;hydride?
The IUPAC name of sodium;2-(aziridin-1-yl)ethenesulfonic acid;hydride (CID 173206111) is sodium;2-(aziridin-1-yl)ethenesulfonic acid;hydride.
What is the SMILES notation for sodium;2-(aziridin-1-yl)ethenesulfonic acid;hydride?
The canonical SMILES for sodium;2-(aziridin-1-yl)ethenesulfonic acid;hydride is O=S(=O)(O)C=CN1CC1.[H-].[Na+].
What is the InChIKey of sodium;2-(aziridin-1-yl)ethenesulfonic acid;hydride?
The InChIKey is SKWPIYQRALAKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3S.Na.H/c6-9(7,8)4-3-5-1-2-5;;/h3-4H,1-2H2,(H,6,7,8);;/q;+1;-1.
What are the key properties of sodium;2-(aziridin-1-yl)ethenesulfonic acid;hydride?
sodium;2-(aziridin-1-yl)ethenesulfonic acid;hydride has a molecular weight of 173.17 g/mol, XLogP of -3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(aziridin-1-yl)ethenesulfonic acid;hydride is sourced from PubChem (CID 173206111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).