1-oxo-2-(sulfinatoamino)ethane

C2H4NO3S- — CID 89216073

IUPAC1-oxo-2-(sulfinatoamino)ethane
SMILESO=CCNS(=O)[O-]
InChIInChI=1S/C2H5NO3S/c4-2-1-3-7(5)6/h2-3H,1H2,(H,5,6)/p-1
InChIKeyMPUQZKDXAMUGLC-UHFFFAOYSA-M
MW122.12 g/mol
LogP-1.43
Rot. Bonds3

About 1-oxo-2-(sulfinatoamino)ethane

1-oxo-2-(sulfinatoamino)ethane (PubChem CID 89216073) has the molecular formula C2H4NO3S- and a molecular weight of 122.12 g/mol. Its IUPAC name is 1-oxo-2-(sulfinatoamino)ethane.

Molecular Properties

Compound Name1-oxo-2-(sulfinatoamino)ethane
PubChem CID89216073
Molecular FormulaC2H4NO3S-
Molecular Weight122.12 g/mol
Exact Mass121.99
IUPAC Name1-oxo-2-(sulfinatoamino)ethane
SMILESO=CCNS(=O)[O-]
InChIInChI=1S/C2H5NO3S/c4-2-1-3-7(5)6/h2-3H,1H2,(H,5,6)/p-1
InChIKeyMPUQZKDXAMUGLC-UHFFFAOYSA-M
XLogP-1.43
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-2-(sulfinatoamino)ethane?
The IUPAC name of 1-oxo-2-(sulfinatoamino)ethane (CID 89216073) is 1-oxo-2-(sulfinatoamino)ethane.
What is the SMILES notation for 1-oxo-2-(sulfinatoamino)ethane?
The canonical SMILES for 1-oxo-2-(sulfinatoamino)ethane is O=CCNS(=O)[O-].
What is the InChIKey of 1-oxo-2-(sulfinatoamino)ethane?
The InChIKey is MPUQZKDXAMUGLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5NO3S/c4-2-1-3-7(5)6/h2-3H,1H2,(H,5,6)/p-1.
What are the key properties of 1-oxo-2-(sulfinatoamino)ethane?
1-oxo-2-(sulfinatoamino)ethane has a molecular weight of 122.12 g/mol, XLogP of -1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2-(sulfinatoamino)ethane is sourced from PubChem (CID 89216073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).