Structure-activity studies on sulfamate sweetners III: structure-taste relationships for heterosulfamates

Eleven heterosulfamates have been synthesized, characterized, and evaluated for sweetness. Measurements of the molecular dimensions (x, y, z, and V) of these sulfamates and 22 others that had been reported previously and evaluated for sweetness have been made using Corey-Pauling-Koltun space-filling models. The first-order molecular connectivities (1Xv) of all the heterosulfamates have been calculated. The statistical technique of linear discriminant analysis was applied to the complete set of 33 compounds and to a reduced set of 27 compounds. The analysis was performed using the above five variables (x, y, z, V, and 1Xv) and various subsets thereof. For the complete set of compounds, seven variable subsets were identified which yielded correct classifications of 27 and 28 compounds. A similar analysis of the reduced set did not improve the misclassification rate.