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

C12H27NOS — CID 115665553

IUPAC2-[3-ethylsulfanylpropyl(pentyl)amino]ethanol
SMILESCCCCCN(CCO)CCCSCC
InChIInChI=1S/C12H27NOS/c1-3-5-6-8-13(10-11-14)9-7-12-15-4-2/h14H,3-12H2,1-2H3
InChIKeyUJSFDFHXNPMEPX-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.61
Rot. Bonds11

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

2-[3-ethylsulfanylpropyl(pentyl)amino]ethanol (PubChem CID 115665553) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is 2-[3-ethylsulfanylpropyl(pentyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-ethylsulfanylpropyl(pentyl)amino]ethanol
PubChem CID115665553
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Name2-[3-ethylsulfanylpropyl(pentyl)amino]ethanol
SMILESCCCCCN(CCO)CCCSCC
InChIInChI=1S/C12H27NOS/c1-3-5-6-8-13(10-11-14)9-7-12-15-4-2/h14H,3-12H2,1-2H3
InChIKeyUJSFDFHXNPMEPX-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.61
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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Related Compounds

2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610
3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
CID 138077793
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride
CID 166791794
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
CID 158988297
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfanylpropyl(pentyl)amino]ethanol?
The IUPAC name of 2-[3-ethylsulfanylpropyl(pentyl)amino]ethanol (CID 115665553) is 2-[3-ethylsulfanylpropyl(pentyl)amino]ethanol.
What is the SMILES notation for 2-[3-ethylsulfanylpropyl(pentyl)amino]ethanol?
The canonical SMILES for 2-[3-ethylsulfanylpropyl(pentyl)amino]ethanol is CCCCCN(CCO)CCCSCC.
What is the InChIKey of 2-[3-ethylsulfanylpropyl(pentyl)amino]ethanol?
The InChIKey is UJSFDFHXNPMEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-3-5-6-8-13(10-11-14)9-7-12-15-4-2/h14H,3-12H2,1-2H3.
What are the key properties of 2-[3-ethylsulfanylpropyl(pentyl)amino]ethanol?
2-[3-ethylsulfanylpropyl(pentyl)amino]ethanol has a molecular weight of 233.42 g/mol, XLogP of 2.61, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfanylpropyl(pentyl)amino]ethanol is sourced from PubChem (CID 115665553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).