CID 42465292
PubChem CID
42465292
Structure
Molecular Formula
Status
Non-live
Molecular Weight
450.6 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
5-(1,1-dioxothiazinan-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-methylbenzenesulfonamide
InChI=1S/C17H26N2O6S3/c1-3-18(16-8-11-26(20,21)13-16)28(24,25)17-12-15(7-6-14(17)2)19-9-4-5-10-27(19,22)23/h6-7,12,16H,3-5,8-11,13H2,1-2H3/t16-/m1/s1
FKIGSAPCKVREBJ-MRXNPFEDSA-N
CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C2=C(C=CC(=C2)N3CCCCS3(=O)=O)C
C17H26N2O6S3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
450.6 g/mol
Property Name
XLogP3-AA
Property Value
1
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
450.09530007 g/mol
Property Name
Monoisotopic Mass
Property Value
450.09530007 g/mol
Property Name
Topological Polar Surface Area
Property Value
134 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
867
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
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
Old substance
Old substance
CONTENTS