CID 47429969
PubChem CID
47429969
Structure
Molecular Formula
Status
Non-live
Molecular Weight
297.4 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
4-(3,4-dimethylphenyl)sulfonyl-2,2,6-trimethylmorpholine
InChI=1S/C15H23NO3S/c1-11-6-7-14(8-12(11)2)20(17,18)16-9-13(3)19-15(4,5)10-16/h6-8,13H,9-10H2,1-5H3
NZIMMRGZOMZWLH-UHFFFAOYSA-N
CC1CN(CC(O1)(C)C)S(=O)(=O)C2=CC(=C(C=C2)C)C
C15H23NO3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
297.4 g/mol
Property Name
XLogP3-AA
Property Value
2.5
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
297.13986477 g/mol
Property Name
Monoisotopic Mass
Property Value
297.13986477 g/mol
Property Name
Topological Polar Surface Area
Property Value
55 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
441
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS