4- Morpholinocyclohex- 1- en- 1- yl Trifluoromethanesulf onate - CAS 1046793-55-8

Catalog:	BB076318
Product Name:	4- Morpholinocyclohex- 1- en- 1- yl Trifluoromethanesulf onate
CAS:	1046793-55-8
Synonyms:	4-morpholinocyclohex-1-enyl trifluoromethanesulfonate; (4-morpholin-4-ylcyclohexen-1-yl) trifluoromethanesulfonate; 4-(MORPHOLIN-4-YL)CYCLOHEX-1-EN-1-YL TRIFLUOROMETHANESULFONATE; trifluoromethanesulfonic acid 4-morpholin-4-yl-cyclohex-1-en-1-yl ester

Technical Data

IUPAC Name:	(4-morpholin-4-ylcyclohexen-1-yl) trifluoromethanesulfonate
Description:	4- Morpholinocyclohex- 1- en- 1- yl Trifluoromethanesulf onate is a reagent used in the preparation of inhibitors of c-Jun N-terminal kinase in the treatment of neurodegenerative disorders and autoimmune diseases.
Molecular Weight:	315.31
Molecular Formula:	C11H16F3NO4S
Canonical SMILES:	C1CC(=CCC1N2CCOCC2)OS(=O)(=O)C(F)(F)F
InChI:	InChI=1S/C11H16F3NO4S/c12-11(13,14)20(16,17)19-10-3-1-9(2-4-10)15-5-7-18-8-6-15/h3,9H,1-2,4-8H2
InChI Key:	WTVGKRUAUADCMU-UHFFFAOYSA-N
References:	Graczyk, P. et al. PCT Int. Appl. (2010), WO 2010015803 A1 20100211..

Complexity:	463
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	315.07521365
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	315.07521365
Rotatable Bond Count:	3
Topological Polar Surface Area:	64.2Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9