3-(3-benzylsulfanylcyclobutyl)oxypyridine

C16H17NOS — CID 175605070

IUPAC3-(3-benzylsulfanylcyclobutyl)oxypyridine
SMILESc1ccc(CSC2CC(Oc3cccnc3)C2)cc1
InChIInChI=1S/C16H17NOS/c1-2-5-13(6-3-1)12-19-16-9-15(10-16)18-14-7-4-8-17-11-14/h1-8,11,15-16H,9-10,12H2
InChIKeyBAZMNBOMXNESKV-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.92
Rot. Bonds5

About 3-(3-benzylsulfanylcyclobutyl)oxypyridine

3-(3-benzylsulfanylcyclobutyl)oxypyridine (PubChem CID 175605070) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 3-(3-benzylsulfanylcyclobutyl)oxypyridine.

Molecular Properties

Compound Name3-(3-benzylsulfanylcyclobutyl)oxypyridine
PubChem CID175605070
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name3-(3-benzylsulfanylcyclobutyl)oxypyridine
SMILESc1ccc(CSC2CC(Oc3cccnc3)C2)cc1
InChIInChI=1S/C16H17NOS/c1-2-5-13(6-3-1)12-19-16-9-15(10-16)18-14-7-4-8-17-11-14/h1-8,11,15-16H,9-10,12H2
InChIKeyBAZMNBOMXNESKV-UHFFFAOYSA-N
XLogP3.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzylsulfanylcyclobutyl)oxypyridine?
The IUPAC name of 3-(3-benzylsulfanylcyclobutyl)oxypyridine (CID 175605070) is 3-(3-benzylsulfanylcyclobutyl)oxypyridine.
What is the SMILES notation for 3-(3-benzylsulfanylcyclobutyl)oxypyridine?
The canonical SMILES for 3-(3-benzylsulfanylcyclobutyl)oxypyridine is c1ccc(CSC2CC(Oc3cccnc3)C2)cc1.
What is the InChIKey of 3-(3-benzylsulfanylcyclobutyl)oxypyridine?
The InChIKey is BAZMNBOMXNESKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-2-5-13(6-3-1)12-19-16-9-15(10-16)18-14-7-4-8-17-11-14/h1-8,11,15-16H,9-10,12H2.
What are the key properties of 3-(3-benzylsulfanylcyclobutyl)oxypyridine?
3-(3-benzylsulfanylcyclobutyl)oxypyridine has a molecular weight of 271.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzylsulfanylcyclobutyl)oxypyridine is sourced from PubChem (CID 175605070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).