1-ethoxy-2-(sulfinatoamino)propane

C5H12NO3S- — CID 57419766

IUPAC1-ethoxy-2-(sulfinatoamino)propane
SMILESCCOCC(C)NS(=O)[O-]
InChIInChI=1S/C5H13NO3S/c1-3-9-4-5(2)6-10(7)8/h5-6H,3-4H2,1-2H3,(H,7,8)/p-1
InChIKeyNZSDLWSBONZYHU-UHFFFAOYSA-M
MW166.22 g/mol
LogP-0.20
Rot. Bonds5

About 1-ethoxy-2-(sulfinatoamino)propane

1-ethoxy-2-(sulfinatoamino)propane (PubChem CID 57419766) has the molecular formula C5H12NO3S- and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-ethoxy-2-(sulfinatoamino)propane.

Molecular Properties

Compound Name1-ethoxy-2-(sulfinatoamino)propane
PubChem CID57419766
Molecular FormulaC5H12NO3S-
Molecular Weight166.22 g/mol
Exact Mass166.05
IUPAC Name1-ethoxy-2-(sulfinatoamino)propane
SMILESCCOCC(C)NS(=O)[O-]
InChIInChI=1S/C5H13NO3S/c1-3-9-4-5(2)6-10(7)8/h5-6H,3-4H2,1-2H3,(H,7,8)/p-1
InChIKeyNZSDLWSBONZYHU-UHFFFAOYSA-M
XLogP-0.20
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.20
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 1-ethoxy-2-(sulfinatoamino)propane?
The IUPAC name of 1-ethoxy-2-(sulfinatoamino)propane (CID 57419766) is 1-ethoxy-2-(sulfinatoamino)propane.
What is the SMILES notation for 1-ethoxy-2-(sulfinatoamino)propane?
The canonical SMILES for 1-ethoxy-2-(sulfinatoamino)propane is CCOCC(C)NS(=O)[O-].
What is the InChIKey of 1-ethoxy-2-(sulfinatoamino)propane?
The InChIKey is NZSDLWSBONZYHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13NO3S/c1-3-9-4-5(2)6-10(7)8/h5-6H,3-4H2,1-2H3,(H,7,8)/p-1.
What are the key properties of 1-ethoxy-2-(sulfinatoamino)propane?
1-ethoxy-2-(sulfinatoamino)propane has a molecular weight of 166.22 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(sulfinatoamino)propane is sourced from PubChem (CID 57419766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).