1-(3-ethoxypropoxy)-3-(sulfinatoamino)propane

C8H18NO4S- — CID 23002742

IUPAC1-(3-ethoxypropoxy)-3-(sulfinatoamino)propane
SMILESCCOCCCOCCCNS(=O)[O-]
InChIInChI=1S/C8H19NO4S/c1-2-12-7-4-8-13-6-3-5-9-14(10)11/h9H,2-8H2,1H3,(H,10,11)/p-1
InChIKeyQAWOARDBHZTCSV-UHFFFAOYSA-M
MW224.30 g/mol
LogP0.20
Rot. Bonds10

About 1-(3-ethoxypropoxy)-3-(sulfinatoamino)propane

1-(3-ethoxypropoxy)-3-(sulfinatoamino)propane (PubChem CID 23002742) has the molecular formula C8H18NO4S- and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(3-ethoxypropoxy)-3-(sulfinatoamino)propane.

Molecular Properties

Compound Name1-(3-ethoxypropoxy)-3-(sulfinatoamino)propane
PubChem CID23002742
Molecular FormulaC8H18NO4S-
Molecular Weight224.30 g/mol
Exact Mass224.10
IUPAC Name1-(3-ethoxypropoxy)-3-(sulfinatoamino)propane
SMILESCCOCCCOCCCNS(=O)[O-]
InChIInChI=1S/C8H19NO4S/c1-2-12-7-4-8-13-6-3-5-9-14(10)11/h9H,2-8H2,1H3,(H,10,11)/p-1
InChIKeyQAWOARDBHZTCSV-UHFFFAOYSA-M
XLogP0.20
TPSA70.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropoxy)-3-(sulfinatoamino)propane?
The IUPAC name of 1-(3-ethoxypropoxy)-3-(sulfinatoamino)propane (CID 23002742) is 1-(3-ethoxypropoxy)-3-(sulfinatoamino)propane.
What is the SMILES notation for 1-(3-ethoxypropoxy)-3-(sulfinatoamino)propane?
The canonical SMILES for 1-(3-ethoxypropoxy)-3-(sulfinatoamino)propane is CCOCCCOCCCNS(=O)[O-].
What is the InChIKey of 1-(3-ethoxypropoxy)-3-(sulfinatoamino)propane?
The InChIKey is QAWOARDBHZTCSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19NO4S/c1-2-12-7-4-8-13-6-3-5-9-14(10)11/h9H,2-8H2,1H3,(H,10,11)/p-1.
What are the key properties of 1-(3-ethoxypropoxy)-3-(sulfinatoamino)propane?
1-(3-ethoxypropoxy)-3-(sulfinatoamino)propane has a molecular weight of 224.30 g/mol, XLogP of 0.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropoxy)-3-(sulfinatoamino)propane is sourced from PubChem (CID 23002742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).