2-[2-ethylsulfanylethyl(2-hydroxyethyl)amino]ethanol

C8H19NO2S — CID 115665511

IUPAC2-[2-ethylsulfanylethyl(2-hydroxyethyl)amino]ethanol
SMILESCCSCCN(CCO)CCO
InChIInChI=1S/C8H19NO2S/c1-2-12-8-5-9(3-6-10)4-7-11/h10-11H,2-8H2,1H3
InChIKeyPZHPTKNMNJPHJN-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.03
Rot. Bonds8

About 2-[2-ethylsulfanylethyl(2-hydroxyethyl)amino]ethanol

2-[2-ethylsulfanylethyl(2-hydroxyethyl)amino]ethanol (PubChem CID 115665511) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-[2-ethylsulfanylethyl(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-ethylsulfanylethyl(2-hydroxyethyl)amino]ethanol
PubChem CID115665511
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name2-[2-ethylsulfanylethyl(2-hydroxyethyl)amino]ethanol
SMILESCCSCCN(CCO)CCO
InChIInChI=1S/C8H19NO2S/c1-2-12-8-5-9(3-6-10)4-7-11/h10-11H,2-8H2,1H3
InChIKeyPZHPTKNMNJPHJN-UHFFFAOYSA-N
XLogP0.03
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-ethylsulfanylethyl(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[2-ethylsulfanylethyl(2-hydroxyethyl)amino]ethanol (CID 115665511) is 2-[2-ethylsulfanylethyl(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-ethylsulfanylethyl(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-ethylsulfanylethyl(2-hydroxyethyl)amino]ethanol is CCSCCN(CCO)CCO.
What is the InChIKey of 2-[2-ethylsulfanylethyl(2-hydroxyethyl)amino]ethanol?
The InChIKey is PZHPTKNMNJPHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-2-12-8-5-9(3-6-10)4-7-11/h10-11H,2-8H2,1H3.
What are the key properties of 2-[2-ethylsulfanylethyl(2-hydroxyethyl)amino]ethanol?
2-[2-ethylsulfanylethyl(2-hydroxyethyl)amino]ethanol has a molecular weight of 193.31 g/mol, XLogP of 0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethylsulfanylethyl(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 115665511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).