From a technical and economic point of view, cold gas propulsion for nanosatellites is one of the more rational systems. There is a problem, however: the optimal spherical shape for a high-pressure vessel only takes up half the cubic volume of the CubeSat unit. To increase the volume, it is proposed to switch to a cubic-shaped tank. The aim of this work is to synthesize the more rational structural design of a pressurant tank that fits within a cubic constraint, which provides the perfect balance between the mass of the structure and the delta-V budget available for the propulsion system. The proposed variants are as follows: a set of four cylinders with spherical bottoms; 14 equal spheres arranged in a face-centered cubic packing; a thin-walled cube supported by ribs, the location and parameters of which provide the smallest mass of the structure; a cube, the reinforcement scheme of which is calculated using topology optimization method; an original polyspheric and bypass design schemes where the filling of the volume of the cube is created by a set of spherical and cylindrical shells of different radii. All the considered vessel variants can be obtained using additive technologies, such as selective laser sintering. For each variant, the internal volume and mass of the vessels were obtained, as well as the delta-V budget, taking into account the mass of the tank and the mass of the stored gas. The analysis of the results reveals that there are two structures that are more rational. The new bypass scheme provides the largest delta-V budget, but it has a 1.6 times larger mass than the initial spherical vessel design. It should be noted that the difference in vessel mass is not crucial for CubeSat form factor satellites. Choosing a rational design may require a larger delta-V budget. The possibility of increasing the reserve delta-V of the CubeSat cold gas propulsion system by 25–35 % due to the transition from a spherical to a cube-shaped tank has been demonstrated. At the same time, the mass of the tank structure increases by 1.6–6.3 times, which can be considered an acceptable price for increasing the efficiency of the propulsion system. The new bypass scheme offers the optimal balance of mass and delta-V reserve.