Common name
N-methylethanesulfonamide
IUPAC name
N-methylethanesulfonamide
SMILES
N(C)S(=O)(=O)CC
Common name
N-methylethanesulfonamide
IUPAC name
N-methylethanesulfonamide
SMILES
N(C)S(=O)(=O)CC
INCHI
InChI=1S/C3H9NO2S/c1-3-7(5,6)4-2/h4H,3H2,1-2H3
FORMULA
C3H9NO2S
Common name
N-methylethanesulfonamide
IUPAC name
N-methylethanesulfonamide
Molecular weight
123.174
clogP
-0.704
clogS
-0.991
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
46.17
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00807 | Naratriptan |
|
Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; | For the acute treatment of migraine attacks with or without aura in adults. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4b4g_ligand_2_12.mol2 | 4b4g | 1 | -5.77 | CCS(=O)(=O)NC | 7 |
| 2pj6_ligand_3_36.mol2 | 2pj6 | 1 | -5.62 | C(S(=O)(=O)NC)C | 7 |
| 2piy_ligand_3_81.mol2 | 2piy | 1 | -5.56 | CCS(=O)(=O)NC | 7 |
| 2pjb_ligand_3_252.mol2 | 2pjb | 1 | -5.40 | C(S(=O)(=O)NC)C | 7 |
| 1w14_ligand_3_1.mol2 | 1w14 | 1 | -5.39 | CNS(=O)(=O)CC | 7 |
| 1w0z_ligand_3_116.mol2 | 1w0z | 1 | -5.36 | C(C)S(=O)(=O)NC | 7 |
| 2zzu_ligand_2_95.mol2 | 2zzu | 1 | -5.20 | N(S(=O)(=O)CC)C | 7 |
| 1wtg_ligand_2_75.mol2 | 1wtg | 1 | -5.19 | N(S(=O)(=O)CC)C | 7 |
| 1wv7_ligand_2_95.mol2 | 1wv7 | 1 | -5.18 | N(S(=O)(=O)CC)C | 7 |
| 1wun_ligand_2_65.mol2 | 1wun | 1 | -5.15 | C(C)S(=O)(=O)NC | 7 |
103 ,
11
