3-(2-ethoxyethylsulfinyl)propan-1-amine

C7H17NO2S — CID 58684549

IUPAC3-(2-ethoxyethylsulfinyl)propan-1-amine
SMILESCCOCCS(=O)CCCN
InChIInChI=1S/C7H17NO2S/c1-2-10-5-7-11(9)6-3-4-8/h2-8H2,1H3
InChIKeyDOIZTQBMXJNKME-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.12
Rot. Bonds7

About 3-(2-ethoxyethylsulfinyl)propan-1-amine

3-(2-ethoxyethylsulfinyl)propan-1-amine (PubChem CID 58684549) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 3-(2-ethoxyethylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxyethylsulfinyl)propan-1-amine
PubChem CID58684549
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name3-(2-ethoxyethylsulfinyl)propan-1-amine
SMILESCCOCCS(=O)CCCN
InChIInChI=1S/C7H17NO2S/c1-2-10-5-7-11(9)6-3-4-8/h2-8H2,1H3
InChIKeyDOIZTQBMXJNKME-UHFFFAOYSA-N
XLogP0.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethylsulfinyl)propan-1-amine?
The IUPAC name of 3-(2-ethoxyethylsulfinyl)propan-1-amine (CID 58684549) is 3-(2-ethoxyethylsulfinyl)propan-1-amine.
What is the SMILES notation for 3-(2-ethoxyethylsulfinyl)propan-1-amine?
The canonical SMILES for 3-(2-ethoxyethylsulfinyl)propan-1-amine is CCOCCS(=O)CCCN.
What is the InChIKey of 3-(2-ethoxyethylsulfinyl)propan-1-amine?
The InChIKey is DOIZTQBMXJNKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-2-10-5-7-11(9)6-3-4-8/h2-8H2,1H3.
What are the key properties of 3-(2-ethoxyethylsulfinyl)propan-1-amine?
3-(2-ethoxyethylsulfinyl)propan-1-amine has a molecular weight of 179.28 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethylsulfinyl)propan-1-amine is sourced from PubChem (CID 58684549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).