CID 47125098
PubChem CID
47125098
Structure
Molecular Formula
Status
Non-live
Molecular Weight
310.4 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
(1,1-dioxothiolan-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
InChI=1S/C10H18N2O5S2/c1-18(14,15)12-5-3-11(4-6-12)10(13)9-2-7-19(16,17)8-9/h9H,2-8H2,1H3
SWZKZLSVVKZZOZ-UHFFFAOYSA-N
CS(=O)(=O)N1CCN(CC1)C(=O)C2CCS(=O)(=O)C2
C10H18N2O5S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
310.4 g/mol
Property Name
XLogP3-AA
Property Value
-1.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
310.06571403 g/mol
Property Name
Monoisotopic Mass
Property Value
310.06571403 g/mol
Property Name
Topological Polar Surface Area
Property Value
109 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
550
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