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

C21H24N2S — CID 11508317

IUPAC2-[(1R)-1-[2-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-yl]ethyl]pyridine
SMILESC[C@@H](c1ccccn1)c1c(CCN2CCCC2)sc2ccccc12
InChIInChI=1S/C21H24N2S/c1-16(18-9-4-5-12-22-18)21-17-8-2-3-10-19(17)24-20(21)11-15-23-13-6-7-14-23/h2-5,8-10,12,16H,6-7,11,13-15H2,1H3/t16-/m0/s1
InChIKeyGDVOQNXWYQVYJH-INIZCTEOSA-N
MW336.50 g/mol
LogP5.09
Rot. Bonds5

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

2-[(1R)-1-[2-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-yl]ethyl]pyridine (PubChem CID 11508317) has the molecular formula C21H24N2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 2-[(1R)-1-[2-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[(1R)-1-[2-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-yl]ethyl]pyridine
PubChem CID11508317
Molecular FormulaC21H24N2S
Molecular Weight336.50 g/mol
Exact Mass336.17
IUPAC Name2-[(1R)-1-[2-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-yl]ethyl]pyridine
SMILESC[C@@H](c1ccccn1)c1c(CCN2CCCC2)sc2ccccc12
InChIInChI=1S/C21H24N2S/c1-16(18-9-4-5-12-22-18)21-17-8-2-3-10-19(17)24-20(21)11-15-23-13-6-7-14-23/h2-5,8-10,12,16H,6-7,11,13-15H2,1H3/t16-/m0/s1
InChIKeyGDVOQNXWYQVYJH-INIZCTEOSA-N
XLogP5.09
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.50
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Thienyl)quinoline
CID 10242258
3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329361
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
Bis-(5-pyridin-3-yl-thiophen-2-ylmethyl)-amine
CID 11210706
4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481
Dimethyl-[2-(5-thiophen-2-yl-1H-indol-3-yl)-ethyl]-amine
CID 11402988
Dimethyl-[2-(5-thiophen-3-yl-1H-indol-3-yl)-ethyl]-amine
CID 44214329

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[2-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-yl]ethyl]pyridine?
The IUPAC name of 2-[(1R)-1-[2-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-yl]ethyl]pyridine (CID 11508317) is 2-[(1R)-1-[2-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-yl]ethyl]pyridine.
What is the SMILES notation for 2-[(1R)-1-[2-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-yl]ethyl]pyridine?
The canonical SMILES for 2-[(1R)-1-[2-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-yl]ethyl]pyridine is C[C@@H](c1ccccn1)c1c(CCN2CCCC2)sc2ccccc12.
What is the InChIKey of 2-[(1R)-1-[2-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-yl]ethyl]pyridine?
The InChIKey is GDVOQNXWYQVYJH-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N2S/c1-16(18-9-4-5-12-22-18)21-17-8-2-3-10-19(17)24-20(21)11-15-23-13-6-7-14-23/h2-5,8-10,12,16H,6-7,11,13-15H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(1R)-1-[2-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-yl]ethyl]pyridine?
2-[(1R)-1-[2-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-yl]ethyl]pyridine has a molecular weight of 336.50 g/mol, XLogP of 5.09, 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-pyrrolidin-1-ylethyl)-1-benzothiophen-3-yl]ethyl]pyridine is sourced from PubChem (CID 11508317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).