Home Sulfos Methyl 1-benzyl-5-(methylsulfonyloxy)-1,2,5,6-tetrahydropyridine-3-carboxylate

Methyl 1-benzyl-5-(methylsulfonyloxy)-1,2,5,6-tetrahydropyridine-3-carboxylate

CAS No.:
1823843-77-1
Catalog Number:
AG01D8RE
Molecular Formula:
C15H19NO5S
Molecular Weight:
325.3801
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Product Description
Catalog Number:
AG01D8RE
Chemical Name:
Methyl 1-benzyl-5-(methylsulfonyloxy)-1,2,5,6-tetrahydropyridine-3-carboxylate
CAS Number:
1823843-77-1
Molecular Formula:
C15H19NO5S
Molecular Weight:
325.3801
MDL Number:
MFCD28016252
IUPAC Name:
methyl 1-benzyl-3-methylsulfonyloxy-3,6-dihydro-2H-pyridine-5-carboxylate
InChI:
InChI=1S/C15H19NO5S/c1-20-15(17)13-8-14(21-22(2,18)19)11-16(10-13)9-12-6-4-3-5-7-12/h3-8,14H,9-11H2,1-2H3
InChI Key:
PBYOGEPAIGEEBF-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CC(CN(C1)Cc1ccccc1)OS(=O)(=O)C
Properties
Complexity:
517  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.098g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.379g/mol
Monoisotopic Mass:
325.098g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties