In building and construction sector, seeking for high thermal and sound insulation materials is crucial to reach lower carbon footprints and also for curtailed consumption energy either for heating or for cooling. Nowadays, geopolymer nanocomposites, an alternative binder to Ordinary Portland Cement (OPC), are drawing considerable attention for their great prospective to withstand heat and sound exposure beside to their outstanding properties including high early strength, little creep and shrinkage and a good resistance to corrosion and abrasion. To advance geopolymer insulating properties, a nanoscale analysis has been investigated here to consider porosity, nanopore size, moisture as well as chemical composition and alkali agents impacts. Our findings conclude that a better thermal isolation is predicted for a high-silicon content geopolymer nanostructure with the presence of sodium alkali activators. The lowest thermal conductivity values of 0.08 W/m.K and 0.10 W/m.K are obtained for a porosity of 30.8% for Na+ and K+ samples, respectively. Considering humidity, results indicate that residual water enhances 4.5 times the thermal insulation of a highly nanoporous metakaolin geopolymer rich on silicon and in the presence of NaOH alkali activator. Nanoscale investigation has finally shown a promising acoustic insulation behavior than OPC material when pore size and porosity are higher than 12 Å and 20% respectively, making nanoporous geopolymer paste as a great challenge for cementitious materials.