2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine

C14H19NS — CID 178102510

IUPAC2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine
SMILESCN1CCCC1CC1CSc2ccccc21
InChIInChI=1S/C14H19NS/c1-15-8-4-5-12(15)9-11-10-16-14-7-3-2-6-13(11)14/h2-3,6-7,11-12H,4-5,8-10H2,1H3
InChIKeyNZPRNGGUPBDBAO-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.36
Rot. Bonds2

About 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine

2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine (PubChem CID 178102510) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine
PubChem CID178102510
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine
SMILESCN1CCCC1CC1CSc2ccccc21
InChIInChI=1S/C14H19NS/c1-15-8-4-5-12(15)9-11-10-16-14-7-3-2-6-13(11)14/h2-3,6-7,11-12H,4-5,8-10H2,1H3
InChIKeyNZPRNGGUPBDBAO-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(3S)-4-cyclopropyl-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpyrrolidine
CID 178102683
2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine
CID 178102472
2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine
CID 178102820
(2R)-2-[[5-(cyclopropylmethoxy)-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpyrrolidine
CID 178102579
(2R)-1-methyl-2-[[5-(oxan-4-yl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]pyrrolidine
CID 178102625
(2R)-1-methyl-2-[[(3R)-5-thiophen-3-yl-2,3-dihydro-1-benzothiophen-3-yl]methyl]pyrrolidine
CID 178102520
2-(bromomethyl)-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidine
CID 80668670
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 79220883
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylsulfanylazepane
CID 114237826
4-tert-butyl-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidine
CID 79314899
2-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 79221425
2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
CID 79221064

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine (CID 178102510) is 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine is CN1CCCC1CC1CSc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine?
The InChIKey is NZPRNGGUPBDBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-15-8-4-5-12(15)9-11-10-16-14-7-3-2-6-13(11)14/h2-3,6-7,11-12H,4-5,8-10H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine?
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine has a molecular weight of 233.38 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine is sourced from PubChem (CID 178102510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).