2-[(1R)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine

C20H22N2S — CID 46884063

IUPAC2-[(1R)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine
SMILESC[C@@H](c1ccccn1)c1c(CCN2CCC2)sc2ccccc12
InChIInChI=1S/C20H22N2S/c1-15(17-8-4-5-11-21-17)20-16-7-2-3-9-18(16)23-19(20)10-14-22-12-6-13-22/h2-5,7-9,11,15H,6,10,12-14H2,1H3/t15-/m0/s1
InChIKeyIQWBKNWLBVZZLG-HNNXBMFYSA-N
MW322.48 g/mol
LogP4.70
Rot. Bonds5

About 2-[(1R)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine

2-[(1R)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine (PubChem CID 46884063) has the molecular formula C20H22N2S and a molecular weight of 322.48 g/mol. Its IUPAC name is 2-[(1R)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[(1R)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine
PubChem CID46884063
Molecular FormulaC20H22N2S
Molecular Weight322.48 g/mol
Exact Mass322.15
IUPAC Name2-[(1R)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine
SMILESC[C@@H](c1ccccn1)c1c(CCN2CCC2)sc2ccccc12
InChIInChI=1S/C20H22N2S/c1-15(17-8-4-5-11-21-17)20-16-7-2-3-9-18(16)23-19(20)10-14-22-12-6-13-22/h2-5,7-9,11,15H,6,10,12-14H2,1H3/t15-/m0/s1
InChIKeyIQWBKNWLBVZZLG-HNNXBMFYSA-N
XLogP4.70
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine?
The IUPAC name of 2-[(1R)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine (CID 46884063) is 2-[(1R)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine.
What is the SMILES notation for 2-[(1R)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine?
The canonical SMILES for 2-[(1R)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine is C[C@@H](c1ccccn1)c1c(CCN2CCC2)sc2ccccc12.
What is the InChIKey of 2-[(1R)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine?
The InChIKey is IQWBKNWLBVZZLG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2S/c1-15(17-8-4-5-11-21-17)20-16-7-2-3-9-18(16)23-19(20)10-14-22-12-6-13-22/h2-5,7-9,11,15H,6,10,12-14H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(1R)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine?
2-[(1R)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine has a molecular weight of 322.48 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine is sourced from PubChem (CID 46884063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).