(2S)-2-(4-Methoxybenzylthiomethyl)-1-methylpyrrolidine

HCID 57048351
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Basic information

Standard SMILES
COc1ccc(CSC[C@@H]2CCCN2C)cc1
InChIKey
SOVNCLADVCCTNV-ZDUSSCGKSA-N
Molecular formula
C14H21NOS
Average molar mass
251.39 g/mol

Names & identifiers

Preferred name
(2S)-2-(4-Methoxybenzylthiomethyl)-1-methylpyrrolidine
IUPAC
(2S)-2-[(4-methoxyphenyl)methylsulfanylmethyl]-1-methylpyrrolidine

Names & synonyms

SCHEMBL9414483SOVNCLADVCCTNV-ZDUSSCGKSA-N(2S)-2-(4-methoxybenzyl-thiomethyl)-1-methylpyrrolidine(2S)-2-(4-Methoxybenzylthiomethyl)-1-methylpyrrolidine

Database identifiers

PubChem CID
57048351

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
37.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
17

Related reactions

4 records
New reaction record

Linked notes

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