2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpyrrolidine

C14H17NOS — CID 82622961

IUPAC2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpyrrolidine
SMILESCOc1cccc2cc(C3(C)CCCN3)sc12
InChIInChI=1S/C14H17NOS/c1-14(7-4-8-15-14)12-9-10-5-3-6-11(16-2)13(10)17-12/h3,5-6,9,15H,4,7-8H2,1-2H3
InChIKeyPGQWBRYQOQGPLZ-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.51
Rot. Bonds2

About 2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpyrrolidine

2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpyrrolidine (PubChem CID 82622961) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpyrrolidine
PubChem CID82622961
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpyrrolidine
SMILESCOc1cccc2cc(C3(C)CCCN3)sc12
InChIInChI=1S/C14H17NOS/c1-14(7-4-8-15-14)12-9-10-5-3-6-11(16-2)13(10)17-12/h3,5-6,9,15H,4,7-8H2,1-2H3
InChIKeyPGQWBRYQOQGPLZ-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545
2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine
CID 117428399
2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117347870
2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine
CID 117320275
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
4-(2-methylpyrrolidin-2-yl)-1,3-benzoxathiol-2-one
CID 117342575
2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine
CID 117426832
2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117343013
3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117347144
3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117356265
2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine
CID 117401425
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpyrrolidine?
The IUPAC name of 2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpyrrolidine (CID 82622961) is 2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpyrrolidine?
The canonical SMILES for 2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpyrrolidine is COc1cccc2cc(C3(C)CCCN3)sc12.
What is the InChIKey of 2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpyrrolidine?
The InChIKey is PGQWBRYQOQGPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-14(7-4-8-15-14)12-9-10-5-3-6-11(16-2)13(10)17-12/h3,5-6,9,15H,4,7-8H2,1-2H3.
What are the key properties of 2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpyrrolidine?
2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpyrrolidine has a molecular weight of 247.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpyrrolidine is sourced from PubChem (CID 82622961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).