IUPAC name
1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide
SMILES
CNS(=O)(=O)CC1=CC2=C(NC=C2CCN(C)C)C=C1
Compound class
Vasoconstrictor Agents; Analgesics; Serotonin Antagonists; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations;
Therapeutic area
For the treatment of migraine attacks with or without aura.
Common name
Sumatriptan
IUPAC name
1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide
SMILES
CNS(=O)(=O)CC1=CC2=C(NC=C2CCN(C)C)C=C1
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
FORMULA
C14H21N3O2S
Common name
Sumatriptan
IUPAC name
1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide
Molecular weight
295.400
clogP
1.714
clogS
-4.359
HBond Acceptor
3
HBond Donor
2
Total Polar Surface Area
65.2
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00064 | N,N-dimethylmethanamine |
|
N(C)(C)C | 0.0371 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF00289 | N,N-dimethylethanamine |
|
C(C)N(C)C | 0.0299 |
| FDBF00317 | (dihydroxy-λ3-sulfanyl)methane |
|
C[S](O)O | 0.0141 |
| FDBF00576 | N-(dihydroxy-λ3-sulfanyl)methanamine |
|
CN[S](O)O | 0.0038 |
| FDBF01539 | N-methylmethanesulfonamide |
|
CS(=O)(=O)NC | 0.0017 |
12 ,
2
