2-oxo-1-(sulfinoamino)propane

C3H7NO3S — CID 139668003

IUPAC2-oxo-1-(sulfinoamino)propane
SMILESCC(=O)CNS(=O)O
InChIInChI=1S/C3H7NO3S/c1-3(5)2-4-8(6)7/h4H,2H2,1H3,(H,6,7)
InChIKeyLOCCXKJCXJJGEO-UHFFFAOYSA-N
MW137.16 g/mol
LogP-0.70
Rot. Bonds3

About 2-oxo-1-(sulfinoamino)propane

2-oxo-1-(sulfinoamino)propane (PubChem CID 139668003) has the molecular formula C3H7NO3S and a molecular weight of 137.16 g/mol. Its IUPAC name is 2-oxo-1-(sulfinoamino)propane.

Molecular Properties

Compound Name2-oxo-1-(sulfinoamino)propane
PubChem CID139668003
Molecular FormulaC3H7NO3S
Molecular Weight137.16 g/mol
Exact Mass137.01
IUPAC Name2-oxo-1-(sulfinoamino)propane
SMILESCC(=O)CNS(=O)O
InChIInChI=1S/C3H7NO3S/c1-3(5)2-4-8(6)7/h4H,2H2,1H3,(H,6,7)
InChIKeyLOCCXKJCXJJGEO-UHFFFAOYSA-N
XLogP-0.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(sulfinoamino)propane?
The IUPAC name of 2-oxo-1-(sulfinoamino)propane (CID 139668003) is 2-oxo-1-(sulfinoamino)propane.
What is the SMILES notation for 2-oxo-1-(sulfinoamino)propane?
The canonical SMILES for 2-oxo-1-(sulfinoamino)propane is CC(=O)CNS(=O)O.
What is the InChIKey of 2-oxo-1-(sulfinoamino)propane?
The InChIKey is LOCCXKJCXJJGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3S/c1-3(5)2-4-8(6)7/h4H,2H2,1H3,(H,6,7).
What are the key properties of 2-oxo-1-(sulfinoamino)propane?
2-oxo-1-(sulfinoamino)propane has a molecular weight of 137.16 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(sulfinoamino)propane is sourced from PubChem (CID 139668003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).