4-[2-(azetidin-3-yl)ethylsulfanyl]naphthalen-1-ol

C15H17NOS — CID 107392136

IUPAC4-[2-(azetidin-3-yl)ethylsulfanyl]naphthalen-1-ol
SMILESOc1ccc(SCCC2CNC2)c2ccccc12
InChIInChI=1S/C15H17NOS/c17-14-5-6-15(13-4-2-1-3-12(13)14)18-8-7-11-9-16-10-11/h1-6,11,16-17H,7-10H2
InChIKeyWKRKABUVYJLNOU-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.25
Rot. Bonds4

About 4-[2-(azetidin-3-yl)ethylsulfanyl]naphthalen-1-ol

4-[2-(azetidin-3-yl)ethylsulfanyl]naphthalen-1-ol (PubChem CID 107392136) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 4-[2-(azetidin-3-yl)ethylsulfanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[2-(azetidin-3-yl)ethylsulfanyl]naphthalen-1-ol
PubChem CID107392136
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name4-[2-(azetidin-3-yl)ethylsulfanyl]naphthalen-1-ol
SMILESOc1ccc(SCCC2CNC2)c2ccccc12
InChIInChI=1S/C15H17NOS/c17-14-5-6-15(13-4-2-1-3-12(13)14)18-8-7-11-9-16-10-11/h1-6,11,16-17H,7-10H2
InChIKeyWKRKABUVYJLNOU-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-3-yl)ethylsulfanyl]naphthalen-1-ol?
The IUPAC name of 4-[2-(azetidin-3-yl)ethylsulfanyl]naphthalen-1-ol (CID 107392136) is 4-[2-(azetidin-3-yl)ethylsulfanyl]naphthalen-1-ol.
What is the SMILES notation for 4-[2-(azetidin-3-yl)ethylsulfanyl]naphthalen-1-ol?
The canonical SMILES for 4-[2-(azetidin-3-yl)ethylsulfanyl]naphthalen-1-ol is Oc1ccc(SCCC2CNC2)c2ccccc12.
What is the InChIKey of 4-[2-(azetidin-3-yl)ethylsulfanyl]naphthalen-1-ol?
The InChIKey is WKRKABUVYJLNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c17-14-5-6-15(13-4-2-1-3-12(13)14)18-8-7-11-9-16-10-11/h1-6,11,16-17H,7-10H2.
What are the key properties of 4-[2-(azetidin-3-yl)ethylsulfanyl]naphthalen-1-ol?
4-[2-(azetidin-3-yl)ethylsulfanyl]naphthalen-1-ol has a molecular weight of 259.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-yl)ethylsulfanyl]naphthalen-1-ol is sourced from PubChem (CID 107392136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).