Common name
N-methyl-N-methylsulfonylformamide
IUPAC name
N-methyl-N-methylsulfonylformamide
SMILES
CN(C=O)S(=O)(=O)C
Common name
N-methyl-N-methylsulfonylformamide
IUPAC name
N-methyl-N-methylsulfonylformamide
SMILES
CN(C=O)S(=O)(=O)C
INCHI
InChI=1S/C3H7NO3S/c1-4(3-5)8(2,6)7/h3H,1-2H3
FORMULA
C3H7NO3S
Common name
N-methyl-N-methylsulfonylformamide
IUPAC name
N-methyl-N-methylsulfonylformamide
Molecular weight
137.158
clogP
-1.253
clogS
0.165
Frequency
0.0003
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
54.45
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02370 | huangcaoling |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4iwd_ligand_2_9.mol2 | 4iwd | 0.631579 | -5.61 | CNS(=O)(=O)C | 6 |
| 3d5m_ligand_1_4.mol2 | 3d5m | 0.631579 | -5.55 | N(S(=O)(=O)C)C | 6 |
| 3h5u_ligand_1_4.mol2 | 3h5u | 0.631579 | -5.52 | N(S(=O)(=O)C)C | 6 |
| 4b81_ligand_2_0.mol2 | 4b81 | 0.631579 | -5.51 | CS(=O)(=O)NC | 6 |
| 4q1f_ligand_1_0.mol2 | 4q1f | 0.631579 | -5.51 | CS(=O)(=O)NC | 6 |
| 3fqk_ligand_1_3.mol2 | 3fqk | 0.631579 | -5.49 | N(S(=O)(=O)C)C | 6 |
| 4b7z_ligand_2_0.mol2 | 4b7z | 0.631579 | -5.49 | CNS(=O)(=O)C | 6 |
| 3bz3_ligand_frag_4.mol2 | 3bz3 | 0.631579 | -5.48 | O=S(=O)(NC)C | 6 |
| 4dpf_ligand_frag_0.mol2 | 4dpf | 0.631579 | -5.48 | O=S(=O)(NC)C | 6 |
| 2qzl_ligand_frag_0.mol2 | 2qzl | 0.631579 | -5.46 | O=S(=O)(NC)C | 6 |
103 ,
11
