2-[3-ethylsulfanylpropyl(propyl)amino]ethanol

C10H23NOS — CID 115665426

IUPAC2-[3-ethylsulfanylpropyl(propyl)amino]ethanol
SMILESCCCN(CCO)CCCSCC
InChIInChI=1S/C10H23NOS/c1-3-6-11(8-9-12)7-5-10-13-4-2/h12H,3-10H2,1-2H3
InChIKeyGZWLFGQBOLACTO-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.83
Rot. Bonds9

About 2-[3-ethylsulfanylpropyl(propyl)amino]ethanol

2-[3-ethylsulfanylpropyl(propyl)amino]ethanol (PubChem CID 115665426) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-[3-ethylsulfanylpropyl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-ethylsulfanylpropyl(propyl)amino]ethanol
PubChem CID115665426
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2-[3-ethylsulfanylpropyl(propyl)amino]ethanol
SMILESCCCN(CCO)CCCSCC
InChIInChI=1S/C10H23NOS/c1-3-6-11(8-9-12)7-5-10-13-4-2/h12H,3-10H2,1-2H3
InChIKeyGZWLFGQBOLACTO-UHFFFAOYSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.83
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-ethylsulfanylpropyl(propyl)amino]ethanol?
The IUPAC name of 2-[3-ethylsulfanylpropyl(propyl)amino]ethanol (CID 115665426) is 2-[3-ethylsulfanylpropyl(propyl)amino]ethanol.
What is the SMILES notation for 2-[3-ethylsulfanylpropyl(propyl)amino]ethanol?
The canonical SMILES for 2-[3-ethylsulfanylpropyl(propyl)amino]ethanol is CCCN(CCO)CCCSCC.
What is the InChIKey of 2-[3-ethylsulfanylpropyl(propyl)amino]ethanol?
The InChIKey is GZWLFGQBOLACTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-3-6-11(8-9-12)7-5-10-13-4-2/h12H,3-10H2,1-2H3.
What are the key properties of 2-[3-ethylsulfanylpropyl(propyl)amino]ethanol?
2-[3-ethylsulfanylpropyl(propyl)amino]ethanol has a molecular weight of 205.37 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfanylpropyl(propyl)amino]ethanol is sourced from PubChem (CID 115665426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).