The recent innovations in agriculture sound effectively to embrace the use Artificial Intelligence (AI) and Internet of Things (IoT) for smartly dealing with data analytics. In parallel, sustainability of the natural resources needs the important advancements to generalize the applications of IoT and AI which consequently adhere to develop a smart sustainable system. The book chapter presents a comprehensive study of Smart Sustainable System in Agriculture Applications (S3A2). The remarkable benchmark of AI and IoT is presented to foster the readability for researchers and academicians. In addition, a detailed description of machine learning based optimization, regularization, feature reduction, and other various classes of recent evolution in emerging technology are tuned with smartly data processing techniques within IoT based low cost secured devices. This book chapter narrates a clear picture to harness the milestones of digital transformation to meet the requirement of economic sustainability goals in agriculture operations. To represent an optimized picture of sustainable development in agriculture, a detailed views of data-driven research on water pollution effects on irrigation, precision, bio-diversity ecosystem conservation, decision-making, and supply chain management are addressed. Instead of technical contribution, this chapter presented detailed study on plant disease modeling along with water and air pollution that affects agriculture. At the technical ends, apart from representing available sensor-based devices for sustainable development in agriculture, recent technology of urban computing, AI, and cloud based applications in IoT in agriculture which finally motivates the researchers to develop a secured, low-cost sustainable smart agriculture device is addressed.