N-[2-(4-Cyanophenoxy)ethyl]-N-[2-(9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)ethyl]methanesulfonamide

HCID 69072689

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CS(=O)(=O)N(CCOc1ccc(C#N)cc1)CCN1CC2CNCC(C1)O2
InChIKey: PFCFDABYPXCIRV-UHFFFAOYSA-N
Molecular formula: C18H26N4O4S
Average molar mass: 394.5 g/mol

Names & identifiers

Preferred name: N-[2-(4-Cyanophenoxy)ethyl]-N-[2-(9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)ethyl]methanesulfonamide
IUPAC: N-[2-(4-cyanophenoxy)ethyl]-N-[2-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethyl]methanesulfonamide

Names & synonyms

SCHEMBL4509459PFCFDABYPXCIRV-UHFFFAOYSA-NN-[2-(4-cyano-phenoxy)-ethyl]-N-[2-(9-oxa-3,7-diaza-bicyclo[3.3.1]-non-3-yl)-ethyl]-methanesulfonamideN-[2-(4-cyano-phenoxy)-ethyl]-N-[2-(9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl)-ethyl]-methanesulfonamideN-[2-(4-Cyanophenoxy)ethyl]-N-[2-(9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)ethyl]methanesulfonamide

Database identifiers

PubChem CID: 69072689

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 103 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 609

Related reactions

7 records

New reaction record

HRID 309386As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 899148As productuspto-grants-2008_04

HRID 899149As reactantuspto-grants-2008_04

HRID 899150As reactantuspto-grants-2008_04

HRID 899156As reactantuspto-grants-2008_04

HRID 953860As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1540317As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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