Responsive image

Common name

2-methyl-2-methylsulfonyl-propane

IUPAC name

2-methyl-2-methylsulfonyl-propane

SMILES

CS(=O)(=O)C(C)(C)C

Common name

2-methyl-2-methylsulfonyl-propane

IUPAC name

2-methyl-2-methylsulfonyl-propane

SMILES

CS(=O)(=O)C(C)(C)C

INCHI

InChI=1S/C5H12O2S/c1-5(2,3)8(4,6)7/h1-4H3

FORMULA

C5H12O2S

Responsive image

Common name

2-methyl-2-methylsulfonyl-propane

IUPAC name

2-methyl-2-methylsulfonyl-propane





Molecular weight

136.213

clogP

0.225

clogS

-1.372

Frequency

0.0003





HBond Acceptor

2

HBond Donor

0

Total Polar
Surface Area

34.14

Number of Rings

0

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00100 Remikiren Responsive image Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; For the treatment of hypertension and heart failure.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2f3k_ligand_2_0.mol2 2f3k 1 -6.41 CC(S(=O)(=O)C)(C)C 8
5cao_ligand_2_20.mol2 5cao 1 -6.26 CC(C)(C)S(=O)(=O)C 8
5cap_ligand_2_20.mol2 5cap 1 -6.25 S(=O)(=O)(C)C(C)(C)C 8
2f3k_ligand_1_0.mol2 2f3k 1 -6.03 O=S(=O)(C)C(C)C 7
5cao_ligand_1_6.mol2 5cao 1 -5.85 C(C)(C)S(=O)(=O)C 7
5cap_ligand_1_6.mol2 5cap 1 -5.84 S(=O)(=O)(C)C(C)C 7
3d91_ligand_2_0.mol2 3d91 1 -5.83 CS(=O)(=O)C(C)(C)C 8
4oba_ligand_2_25.mol2 4oba 1 -5.83 CS(=O)(=O)C(C)(C)C 8
241 , 25