1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol

C15H25NO2S — CID 175519031

IUPAC1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol
SMILESCCCC(O)COCCCSCCc1ccccn1
InChIInChI=1S/C15H25NO2S/c1-2-6-15(17)13-18-10-5-11-19-12-8-14-7-3-4-9-16-14/h3-4,7,9,15,17H,2,5-6,8,10-13H2,1H3
InChIKeyQQYSEAZZYHCXRE-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.92
Rot. Bonds11

About 1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol

1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol (PubChem CID 175519031) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol.

Molecular Properties

Compound Name1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol
PubChem CID175519031
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol
SMILESCCCC(O)COCCCSCCc1ccccn1
InChIInChI=1S/C15H25NO2S/c1-2-6-15(17)13-18-10-5-11-19-12-8-14-7-3-4-9-16-14/h3-4,7,9,15,17H,2,5-6,8,10-13H2,1H3
InChIKeyQQYSEAZZYHCXRE-UHFFFAOYSA-N
XLogP2.92
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]propan-2-ol
CID 175519037
1-propoxy-4-pyridin-2-ylbutan-2-ol
CID 105112007
2-(2-hexylsulfanylethyl)pyridine
CID 95562090
1-(3-phenylpropoxy)pentan-2-ol
CID 62042803
3-(2-pyridin-2-ylethylsulfanyl)propane-1,2-diol
CID 79682874
1-hexoxy-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633804
2-(3-methyloctyl)pyridine;hydrochloride
CID 172780204
1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 62042147
1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633849
1-octadecoxy-3-pyridin-2-yloxypropan-2-ol
CID 71323407
1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 43166281
1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 74229486

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol?
The IUPAC name of 1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol (CID 175519031) is 1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol.
What is the SMILES notation for 1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol?
The canonical SMILES for 1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol is CCCC(O)COCCCSCCc1ccccn1.
What is the InChIKey of 1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol?
The InChIKey is QQYSEAZZYHCXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-2-6-15(17)13-18-10-5-11-19-12-8-14-7-3-4-9-16-14/h3-4,7,9,15,17H,2,5-6,8,10-13H2,1H3.
What are the key properties of 1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol?
1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol has a molecular weight of 283.44 g/mol, XLogP of 2.92, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]pentan-2-ol is sourced from PubChem (CID 175519031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).