1-ethoxy-3-(sulfinatoamino)propane

C5H12NO3S- — CID 18938599

IUPAC1-ethoxy-3-(sulfinatoamino)propane
SMILESCCOCCCNS(=O)[O-]
InChIInChI=1S/C5H13NO3S/c1-2-9-5-3-4-6-10(7)8/h6H,2-5H2,1H3,(H,7,8)/p-1
InChIKeyRNWHNEUBNXCVCZ-UHFFFAOYSA-M
MW166.22 g/mol
LogP-0.20
Rot. Bonds6

About 1-ethoxy-3-(sulfinatoamino)propane

1-ethoxy-3-(sulfinatoamino)propane (PubChem CID 18938599) has the molecular formula C5H12NO3S- and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-ethoxy-3-(sulfinatoamino)propane.

Molecular Properties

Compound Name1-ethoxy-3-(sulfinatoamino)propane
PubChem CID18938599
Molecular FormulaC5H12NO3S-
Molecular Weight166.22 g/mol
Exact Mass166.05
IUPAC Name1-ethoxy-3-(sulfinatoamino)propane
SMILESCCOCCCNS(=O)[O-]
InChIInChI=1S/C5H13NO3S/c1-2-9-5-3-4-6-10(7)8/h6H,2-5H2,1H3,(H,7,8)/p-1
InChIKeyRNWHNEUBNXCVCZ-UHFFFAOYSA-M
XLogP-0.20
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': '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-ethoxy-3-(sulfinatoamino)propane?
The IUPAC name of 1-ethoxy-3-(sulfinatoamino)propane (CID 18938599) is 1-ethoxy-3-(sulfinatoamino)propane.
What is the SMILES notation for 1-ethoxy-3-(sulfinatoamino)propane?
The canonical SMILES for 1-ethoxy-3-(sulfinatoamino)propane is CCOCCCNS(=O)[O-].
What is the InChIKey of 1-ethoxy-3-(sulfinatoamino)propane?
The InChIKey is RNWHNEUBNXCVCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13NO3S/c1-2-9-5-3-4-6-10(7)8/h6H,2-5H2,1H3,(H,7,8)/p-1.
What are the key properties of 1-ethoxy-3-(sulfinatoamino)propane?
1-ethoxy-3-(sulfinatoamino)propane has a molecular weight of 166.22 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(sulfinatoamino)propane is sourced from PubChem (CID 18938599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).