2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine

C14H17NOS — CID 63738091

IUPAC2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine
SMILESc1ccc2c(COCC3CCCN3)csc2c1
InChIInChI=1S/C14H17NOS/c1-2-6-14-13(5-1)11(10-17-14)8-16-9-12-4-3-7-15-12/h1-2,5-6,10,12,15H,3-4,7-9H2
InChIKeyXZGHJKYYNBLULM-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.17
Rot. Bonds4

About 2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine

2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine (PubChem CID 63738091) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine
PubChem CID63738091
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine
SMILESc1ccc2c(COCC3CCCN3)csc2c1
InChIInChI=1S/C14H17NOS/c1-2-6-14-13(5-1)11(10-17-14)8-16-9-12-4-3-7-15-12/h1-2,5-6,10,12,15H,3-4,7-9H2
InChIKeyXZGHJKYYNBLULM-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604586
(2S)-2-(thiophen-2-ylmethoxymethyl)pyrrolidine
CID 102820124
3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole
CID 97178424
1-(azepan-2-yl)-2-(1-benzothiophen-3-yl)ethanone
CID 116582553
2-(1-benzothiophen-3-yl)piperidine
CID 4538625
2-(1-benzothiophen-3-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 11338227
3-(1-benzothiophen-3-ylmethoxy)pyrrolidine
CID 63737908
2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine
CID 102633734
(2R)-2-[[(2R)-3-(1-benzothiophen-3-yl)-2-[methyl-[2-(pyrrolidin-2-ylmethoxy)acetyl]amino]propanoyl]-methylamino]-N-methyl-3-phenylpropanamide
CID 54244155
(2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride
CID 171194953
6-(1-benzothiophen-3-ylmethoxymethyl)-2,2-dimethylmorpholine
CID 114775576
2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine
CID 62333624

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine?
The IUPAC name of 2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine (CID 63738091) is 2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine.
What is the SMILES notation for 2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine?
The canonical SMILES for 2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine is c1ccc2c(COCC3CCCN3)csc2c1.
What is the InChIKey of 2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine?
The InChIKey is XZGHJKYYNBLULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-2-6-14-13(5-1)11(10-17-14)8-16-9-12-4-3-7-15-12/h1-2,5-6,10,12,15H,3-4,7-9H2.
What are the key properties of 2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine?
2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine has a molecular weight of 247.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine is sourced from PubChem (CID 63738091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).