N-[3-(3-Hexyl-6-methyl-3-azabicyclo[3.1.0]hex-6-yl)phenyl]-2-methoxy-1-ethanesulfonamide

HCID 9822011
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Basic information

Standard SMILES
CCCCCCN1CC2C(C1)C2(C)c1cccc(NS(=O)(=O)CCOC)c1
InChIKey
PYEHXIXWXPNFCN-UHFFFAOYSA-N
Molecular formula
C21H34N2O3S
Average molar mass
394.6 g/mol
Monoisotopic mass
394.22901412

Names & identifiers

Preferred name
N-[3-(3-Hexyl-6-methyl-3-azabicyclo[3.1.0]hex-6-yl)phenyl]-2-methoxy-1-ethanesulfonamide
IUPAC
N-[3-(3-hexyl-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]-2-methoxyethanesulfonamide

Names & synonyms

SCHEMBL5755447PYEHXIXWXPNFCN-UHFFFAOYSA-NN-[3-(3-Hexyl-6-methyl-3-azabicyclo[3.1.0]hex-6-yl)phenyl]-2-methoxy-1-ethanesulfonamide

Database identifiers

PubChem CID
9822011

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
67 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
11
Heavy atoms
27

Related reactions

3 records
New reaction record

Compound notes

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