3-(azetidin-2-ylmethoxy)-5-[2-methyl-3-(2-phenylsulfanylethyl)cyclopropyl]pyridine

C21H26N2OS — CID 143976839

IUPAC3-(azetidin-2-ylmethoxy)-5-[2-methyl-3-(2-phenylsulfanylethyl)cyclopropyl]pyridine
SMILESCC1C(CCSc2ccccc2)C1c1cncc(OCC2CCN2)c1
InChIInChI=1S/C21H26N2OS/c1-15-20(8-10-25-19-5-3-2-4-6-19)21(15)16-11-18(13-22-12-16)24-14-17-7-9-23-17/h2-6,11-13,15,17,20-21,23H,7-10,14H2,1H3
InChIKeyWMXARLRINPZDDF-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.35
Rot. Bonds8

About 3-(azetidin-2-ylmethoxy)-5-[2-methyl-3-(2-phenylsulfanylethyl)cyclopropyl]pyridine

3-(azetidin-2-ylmethoxy)-5-[2-methyl-3-(2-phenylsulfanylethyl)cyclopropyl]pyridine (PubChem CID 143976839) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is 3-(azetidin-2-ylmethoxy)-5-[2-methyl-3-(2-phenylsulfanylethyl)cyclopropyl]pyridine.

Molecular Properties

Compound Name3-(azetidin-2-ylmethoxy)-5-[2-methyl-3-(2-phenylsulfanylethyl)cyclopropyl]pyridine
PubChem CID143976839
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name3-(azetidin-2-ylmethoxy)-5-[2-methyl-3-(2-phenylsulfanylethyl)cyclopropyl]pyridine
SMILESCC1C(CCSc2ccccc2)C1c1cncc(OCC2CCN2)c1
InChIInChI=1S/C21H26N2OS/c1-15-20(8-10-25-19-5-3-2-4-6-19)21(15)16-11-18(13-22-12-16)24-14-17-7-9-23-17/h2-6,11-13,15,17,20-21,23H,7-10,14H2,1H3
InChIKeyWMXARLRINPZDDF-UHFFFAOYSA-N
XLogP4.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-2-ylmethoxy)-5-[2-methyl-3-(2-phenylsulfanylethyl)cyclopropyl]pyridine?
The IUPAC name of 3-(azetidin-2-ylmethoxy)-5-[2-methyl-3-(2-phenylsulfanylethyl)cyclopropyl]pyridine (CID 143976839) is 3-(azetidin-2-ylmethoxy)-5-[2-methyl-3-(2-phenylsulfanylethyl)cyclopropyl]pyridine.
What is the SMILES notation for 3-(azetidin-2-ylmethoxy)-5-[2-methyl-3-(2-phenylsulfanylethyl)cyclopropyl]pyridine?
The canonical SMILES for 3-(azetidin-2-ylmethoxy)-5-[2-methyl-3-(2-phenylsulfanylethyl)cyclopropyl]pyridine is CC1C(CCSc2ccccc2)C1c1cncc(OCC2CCN2)c1.
What is the InChIKey of 3-(azetidin-2-ylmethoxy)-5-[2-methyl-3-(2-phenylsulfanylethyl)cyclopropyl]pyridine?
The InChIKey is WMXARLRINPZDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-15-20(8-10-25-19-5-3-2-4-6-19)21(15)16-11-18(13-22-12-16)24-14-17-7-9-23-17/h2-6,11-13,15,17,20-21,23H,7-10,14H2,1H3.
What are the key properties of 3-(azetidin-2-ylmethoxy)-5-[2-methyl-3-(2-phenylsulfanylethyl)cyclopropyl]pyridine?
3-(azetidin-2-ylmethoxy)-5-[2-methyl-3-(2-phenylsulfanylethyl)cyclopropyl]pyridine has a molecular weight of 354.52 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-2-ylmethoxy)-5-[2-methyl-3-(2-phenylsulfanylethyl)cyclopropyl]pyridine is sourced from PubChem (CID 143976839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).