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

C20H22N2S — CID 69217775

IUPAC2-[(1S)-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-/m1/s1
InChIKeyIQWBKNWLBVZZLG-OAHLLOKOSA-N
MW322.48 g/mol
LogP4.70
Rot. Bonds5

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

2-[(1S)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine (PubChem CID 69217775) has the molecular formula C20H22N2S and a molecular weight of 322.48 g/mol. Its IUPAC name is 2-[(1S)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[(1S)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine
PubChem CID69217775
Molecular FormulaC20H22N2S
Molecular Weight322.48 g/mol
Exact Mass322.15
IUPAC Name2-[(1S)-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-/m1/s1
InChIKeyIQWBKNWLBVZZLG-OAHLLOKOSA-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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Related Compounds

N,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine
CID 158595025
N-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine
CID 25265810
2-methoxy-3-[(1S)-1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine
CID 69215935
3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 43203794
1-[3-(pyrrolidin-1-ylmethyl)-1-benzothiophen-2-yl]propan-2-amine
CID 46785337
1-methylpiperidine;2-propan-2-ylpyridine
CID 156652028
(1S)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 81392899
[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62458958
3-(1-ethoxyethyl)-2-propyl-1-benzothiophene
CID 101433467
1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine
CID 55217333
2-(1-propylpiperidin-4-yl)-2-pyridin-2-ylethanamine
CID 83975803
4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine
CID 170870860

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine?
The IUPAC name of 2-[(1S)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine (CID 69217775) is 2-[(1S)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine.
What is the SMILES notation for 2-[(1S)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine?
The canonical SMILES for 2-[(1S)-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-[(1S)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine?
The InChIKey is IQWBKNWLBVZZLG-OAHLLOKOSA-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-/m1/s1.
What are the key properties of 2-[(1S)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine?
2-[(1S)-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-[(1S)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine is sourced from PubChem (CID 69217775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).