Bicyclo(2.2.1)heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, compd. with 1-(cyclohexylmethyl)piperidine (1:1)

HCID 199800

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Basic information

CAS: 5005-73-2
Standard SMILES: C1CCC(CN2CCCCC2)CC1.CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2
InChIKey: NYYVCTVAXPPMSJ-UHFFFAOYSA-N
Molecular formula: C22H39NO4S
Average molar mass: 413.6 g/mol
Monoisotopic mass: 413.2599799

Names & identifiers

Preferred name: Bicyclo(2.2.1)heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, compd. with 1-(cyclohexylmethyl)piperidine (1:1)
IUPAC: 1-(cyclohexylmethyl)piperidine;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid

Names & synonyms

5005-73-2RefChem:1079775Bicyclo(2.2.1)heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, compd. with 1-(cyclohexylmethyl)piperidine (1:1)1-(Cyclohexylmethyl)piperidine (+-)-2-oxo-10-bornanesulfonatedl-Campho-10 sulfonate de piperidinomethylcyclohexane [French]Piperidine, 1-(cyclohexylmethyl)-, 2-oxo-10-bornanesulfonate, (+-)-dl-Campho-10 sulfonate de piperidinomethylcyclohexaneDTXSID90964501(7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid--1-(cyclohexylmethyl)piperidine (1/1)

Database identifiers

CAS: 5005-73-2
PubChem CID: 199800
DTXSID: DTXSID90964501

Properties

Computed structural properties

Topological polar surface area: 83.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 28
Formal charge: 0
Complexity: 536

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