2-oxo-1-(sulfinatoamino)propane

C3H6NO3S- — CID 139668002

IUPAC2-oxo-1-(sulfinatoamino)propane
SMILESCC(=O)CNS(=O)[O-]
InChIInChI=1S/C3H7NO3S/c1-3(5)2-4-8(6)7/h4H,2H2,1H3,(H,6,7)/p-1
InChIKeyLOCCXKJCXJJGEO-UHFFFAOYSA-M
MW136.15 g/mol
LogP-1.04
Rot. Bonds3

About 2-oxo-1-(sulfinatoamino)propane

2-oxo-1-(sulfinatoamino)propane (PubChem CID 139668002) has the molecular formula C3H6NO3S- and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-oxo-1-(sulfinatoamino)propane.

Molecular Properties

Compound Name2-oxo-1-(sulfinatoamino)propane
PubChem CID139668002
Molecular FormulaC3H6NO3S-
Molecular Weight136.15 g/mol
Exact Mass136.01
IUPAC Name2-oxo-1-(sulfinatoamino)propane
SMILESCC(=O)CNS(=O)[O-]
InChIInChI=1S/C3H7NO3S/c1-3(5)2-4-8(6)7/h4H,2H2,1H3,(H,6,7)/p-1
InChIKeyLOCCXKJCXJJGEO-UHFFFAOYSA-M
XLogP-1.04
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(sulfinatoamino)propane?
The IUPAC name of 2-oxo-1-(sulfinatoamino)propane (CID 139668002) is 2-oxo-1-(sulfinatoamino)propane.
What is the SMILES notation for 2-oxo-1-(sulfinatoamino)propane?
The canonical SMILES for 2-oxo-1-(sulfinatoamino)propane is CC(=O)CNS(=O)[O-].
What is the InChIKey of 2-oxo-1-(sulfinatoamino)propane?
The InChIKey is LOCCXKJCXJJGEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO3S/c1-3(5)2-4-8(6)7/h4H,2H2,1H3,(H,6,7)/p-1.
What are the key properties of 2-oxo-1-(sulfinatoamino)propane?
2-oxo-1-(sulfinatoamino)propane has a molecular weight of 136.15 g/mol, XLogP of -1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(sulfinatoamino)propane is sourced from PubChem (CID 139668002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).