CID 45368711
PubChem CID
45368711
Structure
Molecular Formula
Status
Non-live
Molecular Weight
464.7 g/mol
Dates
- Create:2010-05-14
Chemical Structure Depiction
4-cyclopentyl-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide
InChI=1S/C23H36N4O2S2/c1-18-6-5-7-19(2)27(18)31(28,29)22-12-10-20(11-13-22)24-23(30)26-16-14-25(15-17-26)21-8-3-4-9-21/h10-13,18-19,21H,3-9,14-17H2,1-2H3,(H,24,30)
SGZFRSXZONUIJQ-UHFFFAOYSA-N
CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4CCCC4)C
C23H36N4O2S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
464.7 g/mol
Property Name
XLogP3-AA
Property Value
3.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
464.22796875 g/mol
Property Name
Monoisotopic Mass
Property Value
464.22796875 g/mol
Property Name
Topological Polar Surface Area
Property Value
96.4 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
694
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
2
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