Sumatriptan

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 111
Total Number of Articles : 393
PubChem 5358
Molecular Formula

C14H21N3O2S

SMILES

CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C

InChI

InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3

synonyms
  • sumatriptan
  • 103628-46-2
  • Sumatran
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Properties
Property Value
MW 295.40 g/mol
HBD 2
HBA 4
Rotatable Bond Count 6
Exact Mass 295.13544809 g/mol
Monoisotopic Mass 295.13544809 g/mol
Heavy Atom Count 20
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 405
xlogp 0.9
Topological Polar Surface Area 73.6