2-(3-ethoxypropylsulfinyl)-N-methylethanamine

C8H19NO2S — CID 126620188

IUPAC2-(3-ethoxypropylsulfinyl)-N-methylethanamine
SMILESCCOCCCS(=O)CCNC
InChIInChI=1S/C8H19NO2S/c1-3-11-6-4-7-12(10)8-5-9-2/h9H,3-8H2,1-2H3
InChIKeySGAAYOCTUDMCQY-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.38
Rot. Bonds8

About 2-(3-ethoxypropylsulfinyl)-N-methylethanamine

2-(3-ethoxypropylsulfinyl)-N-methylethanamine (PubChem CID 126620188) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-(3-ethoxypropylsulfinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-ethoxypropylsulfinyl)-N-methylethanamine
PubChem CID126620188
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name2-(3-ethoxypropylsulfinyl)-N-methylethanamine
SMILESCCOCCCS(=O)CCNC
InChIInChI=1S/C8H19NO2S/c1-3-11-6-4-7-12(10)8-5-9-2/h9H,3-8H2,1-2H3
InChIKeySGAAYOCTUDMCQY-UHFFFAOYSA-N
XLogP0.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.38
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 2-(3-ethoxypropylsulfinyl)-N-methylethanamine?
The IUPAC name of 2-(3-ethoxypropylsulfinyl)-N-methylethanamine (CID 126620188) is 2-(3-ethoxypropylsulfinyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-ethoxypropylsulfinyl)-N-methylethanamine?
The canonical SMILES for 2-(3-ethoxypropylsulfinyl)-N-methylethanamine is CCOCCCS(=O)CCNC.
What is the InChIKey of 2-(3-ethoxypropylsulfinyl)-N-methylethanamine?
The InChIKey is SGAAYOCTUDMCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-3-11-6-4-7-12(10)8-5-9-2/h9H,3-8H2,1-2H3.
What are the key properties of 2-(3-ethoxypropylsulfinyl)-N-methylethanamine?
2-(3-ethoxypropylsulfinyl)-N-methylethanamine has a molecular weight of 193.31 g/mol, XLogP of 0.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylsulfinyl)-N-methylethanamine is sourced from PubChem (CID 126620188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).