6-((2S,3'S)-2-Methyl-[1,3']bipyrrolidinyl-1'-yl)-2-(toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline

HCID 68211015

Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)N2CCc3cc(N4CC[C@H](N5CCC[C@@H]5C)C4)ccc3C2)cc1
InChIKey
XYXJBZURYUBRDB-RDPSFJRHSA-N
Molecular formula
C25H33N3O2S
Average molar mass
439.6 g/mol
Monoisotopic mass
439.22934848

Names & identifiers

Preferred name
6-((2S,3'S)-2-Methyl-[1,3']bipyrrolidinyl-1'-yl)-2-(toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline
IUPAC
2-(4-methylphenyl)sulfonyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3,4-dihydro-1H-isoquinoline

Names & synonyms

SCHEMBL12181993XYXJBZURYUBRDB-RDPSFJRHSA-N6-((2S,3'S)-2-Methyl-[1,3']bipyrrolidinyl-1'-yl)-2-(toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline6-((2S,3'S)-2-Methyl-[1,3]bipyrrolidinyl-1'-yl)-2-(toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline

Database identifiers

PubChem CID
68211015

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
52.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
31

Related reactions

5 records

Compound notes

Loading…