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N-[3-(3-Hexyl-6-methyl-3-azabicyclo[3.1.0]hex-6-yl)phenyl]-1-propanesulfonamide

HCID 22141305
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCN1CC2C(C1)C2(C)c1cccc(NS(=O)(=O)CCC)c1
InChIKey
OWZMGDCDTNNHGX-UHFFFAOYSA-N
Molecular formula
C21H34N2O2S
Average molar mass
378.6 g/mol
Monoisotopic mass
378.23409951

Names & identifiers

Preferred name
N-[3-(3-Hexyl-6-methyl-3-azabicyclo[3.1.0]hex-6-yl)phenyl]-1-propanesulfonamide
IUPAC
N-[3-(3-hexyl-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]propane-1-sulfonamide

Names & synonyms

SCHEMBL5756134OWZMGDCDTNNHGX-UHFFFAOYSA-NN-[3-(3-Hexyl-6-methyl-3-azabicyclo[3.1.0]hex-6-yl)phenyl]-1-propanesulfonamide

Database identifiers

PubChem CID
22141305

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
57.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
26
Formal charge
0
Complexity
545

Related reactions

3 records
New reaction record
HRID 428848 reaction equation
HRID 428848As productuspto-grants-2001_11
HRID 1826335 reaction equation
HRID 1826335As productuspto-grants-2006_05
HRID 2158094 reaction equation
HRID 2158094As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes