3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine

C20H24N2OS — CID 68613474

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine
SMILESc1ccc(SCC[C@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)cc1
InChIInChI=1S/C20H24N2OS/c1-2-4-19(5-3-1)24-9-7-15-11-20(15)16-10-18(13-21-12-16)23-14-17-6-8-22-17/h1-5,10,12-13,15,17,20,22H,6-9,11,14H2/t15-,17-,20-/m0/s1
InChIKeyWHQKQOMMCPFMMC-KNBMTAEXSA-N
MW340.49 g/mol
LogP4.11
Rot. Bonds8

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine

3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine (PubChem CID 68613474) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine
PubChem CID68613474
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine
SMILESc1ccc(SCC[C@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)cc1
InChIInChI=1S/C20H24N2OS/c1-2-4-19(5-3-1)24-9-7-15-11-20(15)16-10-18(13-21-12-16)23-14-17-6-8-22-17/h1-5,10,12-13,15,17,20,22H,6-9,11,14H2/t15-,17-,20-/m0/s1
InChIKeyWHQKQOMMCPFMMC-KNBMTAEXSA-N
XLogP4.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine (CID 68613474) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine is c1ccc(SCC[C@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)cc1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine?
The InChIKey is WHQKQOMMCPFMMC-KNBMTAEXSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-2-4-19(5-3-1)24-9-7-15-11-20(15)16-10-18(13-21-12-16)23-14-17-6-8-22-17/h1-5,10,12-13,15,17,20,22H,6-9,11,14H2/t15-,17-,20-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine has a molecular weight of 340.49 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine is sourced from PubChem (CID 68613474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).