CID 47246488
PubChem CID
47246488
Structure
Molecular Formula
Status
Non-live
Molecular Weight
285.36 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
8-(3-ethylsulfanylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
InChI=1S/C12H19N3O3S/c1-2-19-8-3-9(16)15-6-4-12(5-7-15)10(17)13-11(18)14-12/h2-8H2,1H3,(H2,13,14,17,18)
KYFPSKVBIYLKIB-UHFFFAOYSA-N
Isomeric SMILES
CCSCCC(=O)N1CCC2(CC1)C(=O)NC(=O)N2
C12H19N3O3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
285.36 g/mol
Property Name
XLogP3-AA
Property Value
-0.3
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
285.11471265 g/mol
Property Name
Monoisotopic Mass
Property Value
285.11471265 g/mol
Property Name
Topological Polar Surface Area
Property Value
104A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
392
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