CID 45368839
PubChem CID
45368839
Structure
Molecular Formula
Status
Non-live
Molecular Weight
410.6 g/mol
Dates
- Create:2010-05-14
Chemical Structure Depiction
1-(2-piperidin-1-ylethyl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea
InChI=1S/C19H30N4O2S2/c24-27(25,23-14-5-2-6-15-23)18-9-7-17(8-10-18)21-19(26)20-11-16-22-12-3-1-4-13-22/h7-10H,1-6,11-16H2,(H2,20,21,26)
UUFNMHLZWQRAAV-UHFFFAOYSA-N
C1CCN(CC1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3
C19H30N4O2S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
410.6 g/mol
Property Name
XLogP3-AA
Property Value
2.4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
410.18101856 g/mol
Property Name
Monoisotopic Mass
Property Value
410.18101856 g/mol
Property Name
Topological Polar Surface Area
Property Value
105 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
559
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
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
CONTENTS