Common name
1-(benzenesulfonyl)-4-methyl-piperazine
IUPAC name
1-(benzenesulfonyl)-4-methyl-piperazine
SMILES
S(=O)(=O)(N1CCN(CC1)C)c2ccccc2
Common name
1-(benzenesulfonyl)-4-methyl-piperazine
IUPAC name
1-(benzenesulfonyl)-4-methyl-piperazine
SMILES
S(=O)(=O)(N1CCN(CC1)C)c2ccccc2
INCHI
InChI=1S/C11H16N2O2S/c1-12-7-9-13(10-8-12)16(14,15)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
FORMULA
C11H16N2O2S
Common name
1-(benzenesulfonyl)-4-methyl-piperazine
IUPAC name
1-(benzenesulfonyl)-4-methyl-piperazine
Molecular weight
240.322
clogP
0.298
clogS
-1.741
Frequency
0.0003
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
40.62
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00091 | Sildenafil |
|
Vasodilator Agents; Phosphodiesterase 5 Inhibitors; Genito Urinary System and Sex Hormones; Drugs Used in Erectile Dysfunction; Cytochrome P-450 CYP2C9 Inhibitors; Urological Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of erectile dysfunction and to relieve symptoms of pulmonary arterial hypertension (PAH). |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2h42_ligand_1_3.mol2 | 2h42 | 1 | -6.97 | c1cc(ccc1)S(=O)(=O)N1CC[NH+](CC1)C | 16 |
| 1udt_ligand_1_3.mol2 | 1udt | 1 | -6.93 | c1cc(ccc1)S(=O)(=O)N1CC[NH+](CC1)C | 16 |
| 1uho_ligand_2_12.mol2 | 1uho | 1 | -6.90 | S(=O)(=O)(N1CC[NH+](CC1)CC)c1ccccc1 | 17 |
| 1xp0_ligand_2_12.mol2 | 1xp0 | 1 | -6.71 | C(C)[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 | 17 |
| 3jwq_ligand_1_3.mol2 | 3jwq | 1 | -6.68 | S(=O)(=O)(N1CC[NH+](CC1)C)c1ccccc1 | 16 |
| 4oew_ligand_1_4.mol2 | 4oew | 1 | -6.41 | c1ccccc1S(=O)(=O)N1CC[NH+](CC1)C | 16 |
116 ,
12
