N-Acetyl-7-(piperidin-1-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline

HCID 18176579
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)N1CCc2ccc(S(=O)(=O)N3CCCCC3)cc2C1
InChIKey
NGWHEXXTURLUED-UHFFFAOYSA-N
Molecular formula
C16H22N2O3S
Average molar mass
322.4 g/mol

Names & identifiers

Preferred name
N-Acetyl-7-(piperidin-1-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
IUPAC
1-(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Names & synonyms

SCHEMBL4384771NGWHEXXTURLUED-UHFFFAOYSA-NAKOS016374472N-Acetyl-7-(piperidin-1-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline

Database identifiers

PubChem CID
18176579

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
66.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

Loading…