sumatriptan
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
| Molecular Formula | C14H21N3O2S |
|---|---|
| Molecular Weight | 295.4 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 73.6 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.13544 |
| Heavy Atoms | 20 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 103628-46-2 |
|---|---|
| SMILES | CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C |
| InChIKey | KQKPFRSPSRPDEB-UHFFFAOYSA-N |
📖 Product Overview
sumatriptan (CAS: 103628-46-2) is a chemical compound with molecular formula C14H21N3O2S and molecular weight 295.4 g/mol. Its IUPAC systematic name is 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide.
KQKPFRSPSRPDEB-UHFFFAOYSA-N.
SMILES: CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C.
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