CID 48945808
PubChem CID
48945808
Structure
Molecular Formula
Status
Non-live
Molecular Weight
336.5 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethylpiperidine-3-carboxamide
InChI=1S/C17H24N2O3S/c1-2-18-17(20)15-7-4-10-19(12-15)23(21,22)16-9-8-13-5-3-6-14(13)11-16/h8-9,11,15H,2-7,10,12H2,1H3,(H,18,20)
PHBBHDMFHIFWMC-UHFFFAOYSA-N
CCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=C(CCC3)C=C2
C17H24N2O3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
336.5 g/mol
Property Name
XLogP3-AA
Property Value
2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
336.15076381 g/mol
Property Name
Monoisotopic Mass
Property Value
336.15076381 g/mol
Property Name
Topological Polar Surface Area
Property Value
74.9 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
528
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