2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine

C16H21NS — CID 66465792

IUPAC2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine
SMILESCCCC1(Cc2csc3ccccc23)CCCN1
InChIInChI=1S/C16H21NS/c1-2-8-16(9-5-10-17-16)11-13-12-18-15-7-4-3-6-14(13)15/h3-4,6-7,12,17H,2,5,8-11H2,1H3
InChIKeyILVMRZTZSGBQQM-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.37
Rot. Bonds4

About 2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine

2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine (PubChem CID 66465792) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine
PubChem CID66465792
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine
SMILESCCCC1(Cc2csc3ccccc23)CCCN1
InChIInChI=1S/C16H21NS/c1-2-8-16(9-5-10-17-16)11-13-12-18-15-7-4-3-6-14(13)15/h3-4,6-7,12,17H,2,5,8-11H2,1H3
InChIKeyILVMRZTZSGBQQM-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-benzyl-2-propylpyrrolidine
CID 124511321
3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine
CID 79451537
2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole
CID 106976381
[1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine
CID 63738318
2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine
CID 66468528
2-[(2,6-difluorophenyl)methyl]-2-propylazepane
CID 114932369
1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79834589
1-(1-benzothiophen-3-ylmethyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64869945
1-(1-benzothiophen-3-ylmethyl)cycloheptane-1-carbonitrile
CID 65389327
2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine
CID 66465553
[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine
CID 65401475
10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64869502

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine?
The IUPAC name of 2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine (CID 66465792) is 2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine.
What is the SMILES notation for 2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine?
The canonical SMILES for 2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine is CCCC1(Cc2csc3ccccc23)CCCN1.
What is the InChIKey of 2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine?
The InChIKey is ILVMRZTZSGBQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-2-8-16(9-5-10-17-16)11-13-12-18-15-7-4-3-6-14(13)15/h3-4,6-7,12,17H,2,5,8-11H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine?
2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine has a molecular weight of 259.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine is sourced from PubChem (CID 66465792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).