The corrosion inhibition nature of the Mimosa pudica extract (MPE) was examined for the possible protection of the stainless steel (SS)-410, which is used in the petroleum pipeline industry. The Mimosa pudica is easily available, renewable, biodegradable, and most important safe for the environment and people. The atomic force microscope (AFM) results found that because of the high corrosion resistance nature of the MPE decreases the 114 nm average surface roughness of steel. The weight loss study for corrosion tests was confirmed by the electrochemical impedance spectroscopy (EIS) and Tafel studies. The inhibition efficiency was higher than 92% at 500 ppm concentration and efficiency had improved by increasing MPE from 100 to 500 ppm in the acid solution. The MPE properly followed the Langmuir’s adsorption isotherm. The inhibition efficiency of the most important ingredients of MPE was computationally studied using density functional theory (DFT) and monte carlo (MC) simulation. The adsorption energies of the MPE ingredients on the Fe (110) plan were calculated by using the MC simulation process.