N,O-Bis(2,4,6-trimethylbenzenesulfonyl)-4-piperidineethanol

HCID 10074447
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Basic information

Standard SMILES
Cc1cc(C)c(S(=O)(=O)OCCC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(C)c1
InChIKey
HVKGPDUXHVRYNZ-UHFFFAOYSA-N
Molecular formula
C25H35NO5S2
Average molar mass
493.7 g/mol
Monoisotopic mass
493.19566556

Names & identifiers

Preferred name
N,O-Bis(2,4,6-trimethylbenzenesulfonyl)-4-piperidineethanol
IUPAC
2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]ethyl 2,4,6-trimethylbenzenesulfonate

Names & synonyms

SCHEMBL5963489HVKGPDUXHVRYNZ-UHFFFAOYSA-NN,O-Bis(2,4,6-trimethylbenzenesulfonyl)-4-piperidineethanol

Database identifiers

PubChem CID
10074447

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
97.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
33

Related reactions

4 records
New reaction record

Linked notes

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