Common name
(3S)-pyrrolidine-3-thiol
IUPAC name
(3S)-pyrrolidine-3-thiol
SMILES
N1CC(CC1)S
Common name
(3S)-pyrrolidine-3-thiol
IUPAC name
(3S)-pyrrolidine-3-thiol
SMILES
N1CC(CC1)S
INCHI
InChI=1S/C4H9NS/c6-4-1-2-5-3-4/h4-6H,1-3H2/t4-/m0/s1
FORMULA
C4H9NS
Common name
(3S)-pyrrolidine-3-thiol
IUPAC name
(3S)-pyrrolidine-3-thiol
Molecular weight
103.186
clogP
1.279
clogS
-0.847
Frequency
0.0010
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
50.83
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00190 | Ertapenem |
|
Anti-Bacterial Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Carbapenems; | For the treatment the following moderate to severe infections caused by susceptible isolates of the designated microorganisms: (1) complicated intra-abdominal infections due to . |
| FDBD00624 | Meropenem |
|
Anti-Bacterial Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Carbapenems; | For use as single agent therapy for the treatment of the following infections when caused by susceptible isolates of the designated microorganisms: . |
| FDBD01388 | Doripenem |
|
Doripenem is indicated in the treatment of complicated intra-abdominal infections and complicated urinary tract infections, including pyelonephritis, caused by designated susceptible bacteria. |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h8y_ligand_1_3.mol2 | 1h8y | 1 | -5.33 | [C@@H]1(CC[NH2+]C1)S | 6 |
| 1ida_ligand_1_14.mol2 | 1ida | 0.62963 | -5.93 | [NH2+]1CCC(CC1)S | 7 |
| 1ida_ligand_2_68.mol2 | 1ida | 0.607143 | -6.07 | [N@@H+]1(CC[C@@H](CC1)S)C | 8 |
| 3iw5_ligand_2_18.mol2 | 3iw5 | 0.583333 | -6.84 | S[C@@H]1[C@@H]2[C@@H](CCCC2)[N@@H+](C1)C | 11 |
190 ,
20
